Professor Matthias Bickelhaupt

All Stories

1. 
   How firm a chemical bond is depends on how you break it!

   Article • The Journal of Chemical Physics, January 2025, American Institute of Physics

   Dr. Pascal Vermeeren, Professor Matthias Bickelhaupt

2. 
   Urea hydrogen-bond donor strengths: bigger is not always better

   Article • Physical Chemistry Chemical Physics, January 2025, Royal Society of Chemistry

   Professor Matthias Bickelhaupt

3. 
   Iron-Catalyzed Activation of Carbon–Halogen Bonds

   Article • Organometallics, October 2024, American Chemical Society (ACS)

   Professor Matthias Bickelhaupt

4. 
   “Hydridic Hydrogen-Bond Donors” Are Not Hydrogen-Bond Donors

   Article • Journal of the American Chemical Society, September 2024, American Chemical Society (ACS)

   Professor Matthias Bickelhaupt

5. 
   Cobalt‐Catalyzed Enantio‐ and Regioselective C(sp3)−H Alkenylation of Thioamides

   Article • Angewandte Chemie, February 2024, Wiley

   Professor Matthias Bickelhaupt

6. 
   Cobalt‐Catalyzed Enantio‐ and Regioselective C(sp3)−H Alkenylation of Thioamides

   Article • Angewandte Chemie, February 2024, Wiley

   Professor Matthias Bickelhaupt

7. 
   Rivaroxaban vs Vitamin K Antagonist in Patients With Atrial Fibrillation and Advanced Chronic Kidney Disease

   Article • JACC Advances, February 2024, Elsevier

   Professor Matthias Bickelhaupt

8. 
   More Electropositive is More Electronegative: Atom Size Determines C=X Group Electronegativity

   Article • Chemistry - A European Journal, January 2024, Wiley

   Professor Matthias Bickelhaupt

9. 
   Front Cover: Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion (ChemPhysChem 1/2024)

   Article • ChemPhysChem, January 2024, Wiley

   Professor Matthias Bickelhaupt

10. 
    Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion

    Article • ChemPhysChem, January 2024, Wiley

    Professor Matthias Bickelhaupt

11. 
    Origin of the Felkin–Anh(–Eisenstein) model: a quantitative rationalization of a seminal concept

    Article • Chemical Science, January 2024, Royal Society of Chemistry

    Dr Israel Fernandez, Professor Matthias Bickelhaupt

12. 
    What defines electrophilicity in carbonyl compounds

    Article • Chemical Science, January 2024, Royal Society of Chemistry

    Dr Israel Fernandez, Professor Matthias Bickelhaupt

13. 
    Retro-Cope elimination of cyclic alkynes: reactivity trends and rational design of next-generation bioorthogonal reagents

    Article • Chemical Science, January 2024, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

14. 
    Solvent-induced dual nucleophiles and the α-effect in the SN2 versus E2 competition

    Article • Physical Chemistry Chemical Physics, January 2024, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

15. 
    The nature of metallophilic interactions in closed-shell d8–d8 metal complexes

    Article • Physical Chemistry Chemical Physics, January 2024, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

16. 
    Nature and strength of group-14 A–A′ bonds

    Article • Chemical Science, January 2024, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

17. 
    Stabilization of Diborynes versus Destabilization of Diborenes by Coordination of Lewis Bases: Unravelling the Dichotomy

    Article • Chemistry - A European Journal, December 2023, Wiley

    Professor Matthias Bickelhaupt

18. 
    Understanding the Retro‐Cope Elimination Reaction of Linear Alkynes

    Article • ChemistryEurope, December 2023, Wiley

    Professor Matthias Bickelhaupt

19. 
    Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion

    Article • ChemPhysChem, November 2023, Wiley

    Professor Matthias Bickelhaupt

20. 
    Unraveling the Bürgi-Dunitz Angle with Precision: The Power of a Two-Dimensional Energy Decomposition Analysis

    Article • Journal of Chemical Theory and Computation, October 2023, American Chemical Society (ACS)

    Dr Israel Fernandez, Professor Matthias Bickelhaupt

21. 
    Cover Feature: Origin of the Bürgi‐Dunitz Angle (ChemPhysChem 17/2023)

    Article • ChemPhysChem, August 2023, Wiley

    Dr Israel Fernandez, Professor Matthias Bickelhaupt

22. 
    Unraveling the Bürgi-Dunitz Angle with Precision: The Power of a Two-Dimensional Energy Decomposition Analysis

    Article • August 2023, American Chemical Society (ACS)

    Professor Matthias Bickelhaupt

23. 
    SN2 versus E2 Competition of Cyclic Ethers

    Article • Chemistry - A European Journal, August 2023, Wiley

    Professor Matthias Bickelhaupt

24. 
    Understanding chemistry with thesymmetry‐decomposed Voronoideformation density charge analysis

    Article • Journal of Computational Chemistry, July 2023, Wiley

    Professor Matthias Bickelhaupt

25. 
    On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds

    Article • Nature Communications, July 2023, Springer Science + Business Media

    Professor Matthias Bickelhaupt

26. 
    Origin of the Bürgi‐Dunitz Angle

    Article • ChemPhysChem, June 2023, Wiley

    Dr Israel Fernandez, Professor Matthias Bickelhaupt

27. 
    Cover Feature: Origin of the Captodative Effect: The Lone‐Pair Shielded Radical (ChemistryEurope 1/2023)

    Article • ChemistryEurope, June 2023, Wiley

    Professor Matthias Bickelhaupt

28. 
    Origin of the Captodative Effect: The Lone‐Pair Shielded Radical

    Article • ChemistryEurope, May 2023, Wiley

    Professor Matthias Bickelhaupt

29. 
    Probing Polar‐π Interactions Between Tetrazoles and Aromatic Rings**

    Article • Chemistry - An Asian Journal, April 2023, Wiley

    Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

30. 
    Palladium-catalyzed activation of HnA–AHnbonds (AHn= CH3, NH2, OH, F)

    Article • Pure and Applied Chemistry, February 2023, De Gruyter

    Professor Matthias Bickelhaupt

31. 
    Intermolecular Covalent Interactions: Nature and Directionality

    Article • Chemistry - A European Journal, January 2023, Wiley

    Professor Matthias Bickelhaupt

32. 
    The Search for Enhanced σ‐Donor Ligands to Stabilize Boron‐Boron Multiple Bonds

    Article • European Journal of Inorganic Chemistry, January 2023, Wiley

    Professor Matthias Bickelhaupt

33. 
    Insertion of CO2and CS2into Bi–N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer

    Article • Chemical Science, January 2023, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

34. 
    How Bases Catalyze Diels‐Alder Reactions

    Article • Chemistry - A European Journal, December 2022, Wiley

    Professor Matthias Bickelhaupt

35. 
    C(spn)−X (n=1–3) Bond Activation by Iron

    Article • European Journal of Organic Chemistry, December 2022, Wiley

    Professor Matthias Bickelhaupt

36. 
    On the existence of collective interactions

    Article • December 2022, American Chemical Society (ACS)

    Professor Matthias Bickelhaupt

37. 
    The abnormally long and weak methylidyne C–H bond

    Article • Natural Sciences, October 2022, Wiley

    Professor Matthias Bickelhaupt

38. 
    Author response for "The abnormally long and weak methylidyne C–H bond"

    Article • September 2022, Wiley

    Professor Matthias Bickelhaupt

39. 
    Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules

    Article • Journal of Chemical Education, September 2022, American Chemical Society (ACS)

    Professor Matthias Bickelhaupt

40. 
    Author response for "The abnormally long and weak methylidyne C–H bond"

    Article • September 2022, Wiley

    Professor Matthias Bickelhaupt

41. 
    Iodine Gauche Effect Induced by an Intramolecular Hydrogen Bond

    Article • The Journal of Organic Chemistry, August 2022, American Chemical Society (ACS)

    Professor Matthias Bickelhaupt

42. 
    Methyl Substitution Destabilizes Alkyl Radicals

    Article • Angewandte Chemie, August 2022, Wiley

    Professor Matthias Bickelhaupt

43. 
    Methyl Substitution Destabilizes Alkyl Radicals

    Article • Angewandte Chemie, August 2022, Wiley

    Professor Matthias Bickelhaupt

44. 
    Palladium‐Catalyzed Activation of Carbon–Halogen Bonds: Electrostatics‐Controlled Reactivity

    Article • European Journal of Organic Chemistry, July 2022, Wiley

    Professor Matthias Bickelhaupt

45. 
    SN2 versus SN2′ Competition

    Article • The Journal of Organic Chemistry, June 2022, American Chemical Society (ACS)

    Professor Matthias Bickelhaupt

46. 
    Front Cover: How Ionization Catalyzes Diels‐Alder Reactions (Chem. Eur. J. 40/2022)

    Article • Chemistry - A European Journal, June 2022, Wiley

    Professor Matthias Bickelhaupt

47. 
    How Ionization Catalyzes Diels–Alder Reactions

    Article • Chemistry - A European Journal, June 2022, Wiley

    Professor Matthias Bickelhaupt

48. 
    C−X Bond Activation by Palladium: Steric Shielding versus Steric Attraction

    Article • Chemistry - A European Journal, June 2022, Wiley

    Professor Matthias Bickelhaupt

49. 
    Through-Space Stabilization of an Imidazolium Cation by Aromatic Rings

    Article • The Journal of Organic Chemistry, June 2022, American Chemical Society (ACS)

    Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

50. 
    How Ionization Catalyzes Diels‐Alder Reactions

    Article • Chemistry - A European Journal, May 2022, Wiley

    Professor Matthias Bickelhaupt

51. 
    Probing Noncovalent Interactions in [3,3]Metaparacyclophanes

    Article • The Journal of Organic Chemistry, April 2022, American Chemical Society (ACS)

    Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

52. 
    Corrigendum: Chemoselectivity of Tertiary Azides in Strain‐Promoted Alkyne–Azide Cycloadditions

    Article • Chemistry - A European Journal, March 2022, Wiley

    Professor Matthias Bickelhaupt

53. 
    Reading and erasing of the phosphonium analogue of trimethyllysine by epigenetic proteins

    Article • Communications Chemistry, March 2022, Springer Science + Business Media

    Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

54. 
    Polycyclic Aromatic Hydrocarbons (PAHs) in Interstellar Ices: A Computational Study into How the Ice Matrix Influences the Ionic State of PAH Photoproducts

    Article • ACS Earth and Space Chemistry, February 2022, American Chemical Society (ACS)

    Professor Matthias Bickelhaupt

55. 
    Rational design of iron catalysts for C–X bond activation

    Article • Journal of Computational Chemistry, February 2022, Wiley

    Professor Matthias Bickelhaupt

56. 
    B‐DNA Structure and Stability: The Role of Nucleotide Composition and Order

    Article • ChemistryOpen, February 2022, Wiley

    Professor Matthias Bickelhaupt

57. 
    Front Cover: B‐DNA Structure and Stability: The Role of Nucleotide Composition and Order (ChemistryOpen 2/2022)

    Article • ChemistryOpen, February 2022, Wiley

    Professor Matthias Bickelhaupt

58. 
    C(spn)−X (n=1–3) Bond Activation by Palladium

    Article • Chemistry - A European Journal, January 2022, Wiley

    Professor Matthias Bickelhaupt

59. 
    B‐DNA Structure and Stability: The Role of Nucleotide Composition and Order

    Article • ChemistryOpen, January 2022, Wiley

    Professor Matthias Bickelhaupt

60. 
    Probing the Lewis Acidity of Boronic Acids through Interactions with Arene Substituents

    Article • Chemistry - A European Journal, January 2022, Wiley

    Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

61. 
    Clarifying notes on the bonding analysis adopted by the energy decomposition analysis

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

62. 
    Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

63. 
    Stability of alkyl carbocations

    Article • Chemical Communications, January 2022, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

64. 
    How Solvation Influences the SN2 versus E2 Competition

    Article • The Journal of Organic Chemistry, December 2021, American Chemical Society (ACS)

    Professor Matthias Bickelhaupt

65. 
    Cover Feature: The Chemical Bond: When Atom Size Instead of Electronegativity Difference Determines Trend in Bond Strength (Chem. Eur. J. 63/2021)

    Article • Chemistry - A European Journal, November 2021, Wiley

    Professor Matthias Bickelhaupt

66. 
    The Chemical Bond: When Atom Size Instead of Electronegativity Difference Determines Trend in Bond Strength

    Article • Chemistry - A European Journal, October 2021, Wiley

    Professor Matthias Bickelhaupt

67. 
    Radical Scavenging Potential of the Phenothiazine Scaffold: A Computational Analysis

    Article • ChemMedChem, October 2021, Wiley

    Professor Matthias Bickelhaupt

68. 
    How Lewis Acids Catalyze Ene Reactions

    Article • European Journal of Organic Chemistry, October 2021, Wiley

    Professor Matthias Bickelhaupt

69. 
    Switch From Pauli‐Lowering to LUMO‐Lowering Catalysis in Brønsted Acid‐Catalyzed Aza‐Diels‐Alder Reactions

    Article • ChemistryOpen, August 2021, Wiley

    Professor Matthias Bickelhaupt

70. 
    Origin of the α‐Effect in SN2 Reactions

    Article • Angewandte Chemie, July 2021, Wiley

    Professor Matthias Bickelhaupt

71. 
    Origin of the α‐Effect in SN2 Reactions

    Article • Angewandte Chemie, July 2021, Wiley

    Professor Matthias Bickelhaupt

72. 
    Inside Back Cover: Origin of the α‐Effect in SN2 Reactions (Angew. Chem. Int. Ed. 38/2021)

    Article • Angewandte Chemie, July 2021, Wiley

    Professor Matthias Bickelhaupt

73. 
    Innenrücktitelbild: Origin of the α‐Effect in SN2 Reactions (Angew. Chem. 38/2021)

    Article • Angewandte Chemie, July 2021, Wiley

    Professor Matthias Bickelhaupt

74. 
    Lewis Acid‐Catalyzed Diels‐Alder Reactions: Reactivity Trends across the Periodic Table

    Article • Chemistry - A European Journal, May 2021, Wiley

    Dr Israel Fernandez, Professor Matthias Bickelhaupt

75. 
    8 Energy decomposition analysis in the context of quantitative molecular orbital theory

    Article • April 2021, De Gruyter

    Professor Matthias Bickelhaupt

76. 
    A Quantitative Molecular Orbital Perspective of the Chalcogen Bond

    Article • ChemistryOpen, April 2021, Wiley

    Professor Matthias Bickelhaupt

77. 
    Front Cover: A Quantitative Molecular Orbital Perspective of the Chalcogen Bond (4/2021)

    Article • ChemistryOpen, April 2021, Wiley

    Professor Matthias Bickelhaupt

78. 
    The Pauli Repulsion-Lowering Concept in Catalysis

    Article • Accounts of Chemical Research, March 2021, American Chemical Society (ACS)

    Dr Israel Fernandez, Professor Matthias Bickelhaupt

79. 
    Cover Image

    Article • Journal of Computational Chemistry, March 2021, Wiley

    Professor Matthias Bickelhaupt

80. 
    Do Sulfonamides Interact with Aromatic Rings?

    Article • Chemistry - A European Journal, March 2021, Wiley

    Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

81. 
    Cover Feature: Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length (Chem. Eur. J. 24/2021)

    Article • Chemistry - A European Journal, March 2021, Wiley

    Professor Matthias Bickelhaupt

82. 
    Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length

    Article • Chemistry - A European Journal, March 2021, Wiley

    Professor Matthias Bickelhaupt

83. 
    The Gauche Effect in XCH2CH2X Revisited

    Article • ChemPhysChem, February 2021, Wiley

    Professor Matthias Bickelhaupt

84. 
    A Quantitative Molecular Orbital Perspective of the Chalcogen Bond

    Article • ChemistryOpen, February 2021, Wiley

    Professor Matthias Bickelhaupt

85. 
    Chalcogen bonds: Hierarchical ab initio benchmark and density functional theory performance study

    Article • Journal of Computational Chemistry, February 2021, Wiley

    Professor Matthias Bickelhaupt

86. 
    Bismuth Amides Mediate Facile and Highly Selective Pn–Pn Radical‐Coupling Reactions (Pn=N, P, As)

    Article • Angewandte Chemie, January 2021, Wiley

    Professor Matthias Bickelhaupt

87. 
    Bismutamide als einfache Vermittler hochselektiver Pn−Pn‐Radikal‐Kupplungsreaktionen (Pn=N, P, As)

    Article • Angewandte Chemie, January 2021, Wiley

    Professor Matthias Bickelhaupt

88. 
    How Metallylenes Activate Small Molecules

    Article • January 2021, American Chemical Society (ACS)

    Professor Matthias Bickelhaupt

89. 
    Proton Transfer and SN2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx

    Article • ChemPlusChem, January 2021, Wiley

    Professor Matthias Bickelhaupt

90. 
    Front Cover: Proton Transfer and SN2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx (ChemPlusChem 4/2021)

    Article • ChemPlusChem, January 2021, Wiley

    Professor Matthias Bickelhaupt

91. 
    Cover Feature: How Oriented External Electric Fields Modulate Reactivity (Chem. Eur. J. 18/2021)

    Article • Chemistry - A European Journal, January 2021, Wiley

    Professor Matthias Bickelhaupt

92. 
    How Oriented External Electric Fields Modulate Reactivity

    Article • Chemistry - A European Journal, January 2021, Wiley

    Professor Matthias Bickelhaupt

93. 
    Cover Feature: Bifunctional Hydrogen Bond Donor‐Catalyzed Diels–Alder Reactions: Origin of Stereoselectivity and Rate Enhancement (Chem. Eur. J. 16/2021)

    Article • Chemistry - A European Journal, January 2021, Wiley

    Dr Israel Fernandez, Professor Matthias Bickelhaupt

94. 
    Nature of Alkali‐ and Coinage‐Metal Bonds versus Hydrogen Bonds

    Article • Chemistry - An Asian Journal, January 2021, Wiley

    Professor Matthias Bickelhaupt

95. 
    Bifunctional Hydrogen Bond Donor‐Catalyzed Diels–Alder Reactions: Origin of Stereoselectivity and Rate Enhancement

    Article • Chemistry - A European Journal, January 2021, Wiley

    Dr Israel Fernandez, Professor Matthias Bickelhaupt

96. 
    On the Origin of Regioselectivity in Palladium‐Catalyzed Oxidation of Glucosides

    Article • European Journal of Organic Chemistry, January 2021, Wiley

    Professor Matthias Bickelhaupt

97. 
    Dipolar repulsion in α-halocarbonyl compounds revisited

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

98. 
    How metallylenes activate small molecules

    Article • Chemical Science, January 2021, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

99. 
    The pnictogen bond: a quantitative molecular orbital picture

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Professor Matthias Bickelhaupt

100. 
     Origin of asynchronicity in Diels–Alder reactions

     Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

101. 
     Chemical reactivity from an activation strain perspective

     Article • Chemical Communications, January 2021, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

102. 
     The Hydrogenation Problem in Cobalt‐based Catalytic Hydroaminomethylation

     Article • ChemistrySelect, November 2020, Wiley

     Professor Matthias Bickelhaupt

103. 
     Proton Transfer and SN2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx

     Article • ChemPlusChem, November 2020, Wiley

     Professor Matthias Bickelhaupt

104. 
     The Nature of Nonclassical Carbonyl Ligands Explained by Kohn–Sham Molecular Orbital Theory

     Article • Chemistry - A European Journal, November 2020, Wiley

     Professor Matthias Bickelhaupt

105. 
     A Unified Framework for Understanding Nucleophilicity and Protophilicity in the S N 2/E2 Competition

     Article • Chemistry - A European Journal, October 2020, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

106. 
     A Unified Framework for Understanding Nucleophilicity and Protophilicity in the S N 2/E2 Competition

     Article • Chemistry - A European Journal, October 2020, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

107. 
     SN2 versus E2 Competition of F–and PH2–Revisited

     Article • The Journal of Organic Chemistry, October 2020, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

108. 
     Designing Rh(I)-Half-Sandwich Catalysts for Alkyne [2+2+2] Cycloadditions

     Article • Synlett, October 2020, Thieme Publishing Group

     Professor Matthias Bickelhaupt

109. 
     Probing Halogen−π versus CH−π Interactions in Molecular Balance

     Article • Organic Letters, September 2020, American Chemical Society (ACS)

     Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

110. 
     Understanding the 1,3‐Dipolar Cycloadditions of Allenes

     Article • Chemistry - A European Journal, August 2020, Wiley

     Professor Matthias Bickelhaupt

111. 
     N‐Heterocyclic Silylenes as Ligands in Transition Metal Carbonyl Chemistry: Nature of Their Bonding and Supposed Innocence

     Article • Chemistry - A European Journal, July 2020, Wiley

     Professor Matthias Bickelhaupt

112. 
     A dual attack on the peroxide bond. The common principle of peroxidatic cysteine or selenocysteine residues

     Article • Redox Biology, July 2020, Elsevier

     Professor Matthias Bickelhaupt

113. 
     Diastereoselective Synthesis of β-Lactams by Ligand-Controlled Stereodivergent Intramolecular Tsuji–Trost Allylation

     Article • The Journal of Organic Chemistry, June 2020, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

114. 
     Regioselectivity of Epoxide Ring‐Openings via SN2 Reactions Under Basic and Acidic Conditions

     Article • European Journal of Organic Chemistry, June 2020, Wiley

     Professor Matthias Bickelhaupt

115. 
     Front Cover: Through‐Space Polar‐π Interactions in 2,6‐Diarylthiophenols (ChemPhysChem 11/2020)

     Article • ChemPhysChem, June 2020, Wiley

     Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

116. 
     Through‐Space Polar‐π Interactions in 2,6‐Diarylthiophenols

     Article • ChemPhysChem, June 2020, Wiley

     Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

117. 
     Computationally Guided Molecular Design to Minimize the LE/CT Gap in D‐π‐A Fluorinated Triarylboranes for Efficient TADF via D and π‐Bridge Tuning

     Article • Advanced Functional Materials, June 2020, Wiley

     Professor Matthias Bickelhaupt

118. 
     Mechanism of biomolecular recognition of trimethyllysine by the fluorinated aromatic cage of KDM5A PHD3 finger

     Article • Communications Chemistry, June 2020, Springer Science + Business Media

     Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

119. 
     Through‐Space Polar‐π Interactions in 2,6‐Diarylthiophenols

     Article • ChemPhysChem, May 2020, Wiley

     Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

120. 
     Comparison of Molecular Recognition of Trimethyllysine and Trimethylthialysine by Epigenetic Reader Proteins

     Article • Molecules, April 2020, MDPI AG

     Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

121. 
     How Alkali Cations Catalyze Aromatic Diels‐Alder Reactions

     Article • Chemistry - An Asian Journal, March 2020, Wiley

     Professor Matthias Bickelhaupt

122. 
     Performance of TDDFT Vertical Excitation Energies of Core‐Substituted Naphthalene Diimides

     Article • Journal of Computational Chemistry, March 2020, Wiley

     Professor Matthias Bickelhaupt

123. 
     Ambident Nucleophilic Substitution: Understanding Non‐HSAB Behavior through Activation Strain and Conceptual DFT Analyses

     Article • Chemistry - A European Journal, March 2020, Wiley

     Professor Matthias Bickelhaupt

124. 
     How Lewis Acids Catalyze Diels–Alder Reactions

     Article • Angewandte Chemie, February 2020, Wiley

     Dr Israel Fernandez, Professor Matthias Bickelhaupt

125. 
     How Lewis Acids Catalyze Diels–Alder Reactions

     Article • Angewandte Chemie, February 2020, Wiley

     Dr Israel Fernandez, Professor Matthias Bickelhaupt

126. 
     Ligand‐Mediated Regioselective Rhodium‐Catalyzed Benzotriazole–Allene Coupling: Mechanistic Exploration and Quantum Chemical Analysis

     Article • Chemistry - A European Journal, February 2020, Wiley

     Professor Matthias Bickelhaupt

127. 
     Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design

     Article • Journal of Chemical Information and Modeling, January 2020, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

128. 
     Distortion‐Controlled Redshift of Organic Dye Molecules

     Article • Chemistry - A European Journal, January 2020, Wiley

     Professor Matthias Bickelhaupt

129. 
     Understanding chemical reactivity using the activation strain model

     Article • Nature Protocols, January 2020, Springer Science + Business Media

     Professor Matthias Bickelhaupt

130. 
     Origin of rate enhancement and asynchronicity in iminium catalyzed Diels–Alder reactions

     Article • Chemical Science, January 2020, Royal Society of Chemistry

     Dr Israel Fernandez, Professor Matthias Bickelhaupt

131. 
     Toward Transition‐Metal‐Templated Construction of Arylated B4 Chains by Dihydroborane Dehydrocoupling

     Article • Chemistry - A European Journal, December 2019, Wiley

     Professor Matthias Bickelhaupt

132. 
     Activation Strain Analyses of Counterion and Solvent Effects on the Ion‐Pair SN2 Reaction of and CH3Cl

     Article • Journal of Computational Chemistry, November 2019, Wiley

     Professor Matthias Bickelhaupt

133. 
     Steric Effects Dictate the Formation of Terminal Arylborylene Complexes of Ruthenium from Dihydroboranes

     Article • Chemistry - A European Journal, September 2019, Wiley

     Professor Matthias Bickelhaupt

134. 
     Alkali Metal Cation Affinities of Neutral Maingroup-Element Hydrides across the Periodic Table

     Article • The Journal of Physical Chemistry A, July 2019, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

135. 
     Cover Feature: Dual Activation of Aromatic Diels–Alder Reactions (Chem. Eur. J. 42/2019)

     Article • Chemistry - A European Journal, July 2019, Wiley

     Professor Matthias Bickelhaupt

136. 
     Dual Activation of Aromatic Diels–Alder Reactions

     Article • Chemistry - A European Journal, July 2019, Wiley

     Professor Matthias Bickelhaupt

137. 
     Special Collection: Computational Chemistry

     Article • ChemistryOpen, July 2019, Wiley

     Prof. Dr. Miquel Solà, Professor Matthias Bickelhaupt

138. 
     Racemization and Deracemization through Intermolecular Redox Behaviour

     Article • Chemistry - A European Journal, July 2019, Wiley

     Professor Matthias Bickelhaupt

139. 
     PyFrag 2019—Automating the exploration and analysis of reaction mechanisms

     Article • Journal of Computational Chemistry, June 2019, Wiley

     Professor Matthias Bickelhaupt

140. 
     How Dihalogens Catalyze Michael Addition Reactions

     Article • Angewandte Chemie, May 2019, Wiley

     Dr Israel Fernandez, Professor Matthias Bickelhaupt

141. 
     Wie Dihalogene Michael‐Additionsreaktionen katalysieren

     Article • Angewandte Chemie, May 2019, Wiley

     Dr Israel Fernandez, Professor Matthias Bickelhaupt

142. 
     Nucleophilic substitution at di- and triphosphates: leaving group ability of phosphate versus diphosphate

     Article • Electronic Structure, May 2019, Institute of Physics Publishing

     Professor Matthias Bickelhaupt

143. 
     para-Selective C–H Olefination of Aniline Derivatives via Pd/S,O-Ligand Catalysis

     Article • Journal of the American Chemical Society, March 2019, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

144. 
     Structural Distortion of Cycloalkynes Influences Cycloaddition Rates both by Strain and Interaction Energies

     Article • Chemistry - A European Journal, March 2019, Wiley

     Professor Matthias Bickelhaupt

145. 
     Cover Feature: Structural Distortion of Cycloalkynes Influences Cycloaddition Rates both by Strain and Interaction Energies (Chem. Eur. J. 25/2019)

     Article • Chemistry - A European Journal, March 2019, Wiley

     Professor Matthias Bickelhaupt

146. 
     Probing Through-Space Polar−π Interactions in 2,6-Diarylphenols

     Article • The Journal of Organic Chemistry, February 2019, American Chemical Society (ACS)

     Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

147. 
     Cover Feature: Half‐Sandwich Metal‐Catalyzed Alkyne [2+2+2] Cycloadditions and the Slippage Span Model (ChemistryOpen 2/2019)

     Article • ChemistryOpen, January 2019, Wiley

     Professor Matthias Bickelhaupt

148. 
     Diels-Alder reactivities of cycloalkenediones with tetrazine

     Article • Journal of Molecular Modeling, January 2019, Springer Science + Business Media

     Professor Matthias Bickelhaupt

149. 
     Cation affinities throughout the periodic table

     Article • January 2019, Elsevier

     Professor Matthias Bickelhaupt

150. 
     Hydride affinities of cationic maingroup-element hydrides across the periodic table

     Article • Results in Chemistry, January 2019, Elsevier

     Professor Matthias Bickelhaupt

151. 
     Understanding the differences between iron and palladium in cross-coupling reactions

     Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

152. 
     Carbon monoxide insertion at a heavy p-block element: unprecedented formation of a cationic bismuth carbamoyl

     Article • Chemical Science, January 2019, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

153. 
     In My Element: Carbon

     Article • Chemistry - A European Journal, December 2018, Wiley

     Professor Matthias Bickelhaupt

154. 
     Chemoselectivity of Tertiary Azides in Strain‐Promoted Alkyne‐Azide Cycloadditions

     Article • Chemistry - A European Journal, December 2018, Wiley

     Professor Matthias Bickelhaupt

155. 
     Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory

     Article • Journal of Computational Chemistry, December 2018, Wiley

     Ayush Narsaria, Professor Matthias Bickelhaupt

156. 
     Half‐Sandwich Metal‐Catalyzed Alkyne [2+2+2] Cycloadditions and the Slippage Span Model

     Article • ChemistryOpen, November 2018, Wiley

     Professor Matthias Bickelhaupt

157. 
     Factors Controlling the Diels–Alder Reactivity of Hetero‐1,3‐Butadienes

     Article • ChemistryOpen, November 2018, Wiley

     Professor Matthias Bickelhaupt

158. 
     A methodology for the photocatalyzed radical trifluoromethylation of indoles: A combined experimental and computational study

     Article • Journal of Fluorine Chemistry, October 2018, Elsevier

     Professor Matthias Bickelhaupt

159. 
     Elucidating the Trends in Reactivity of Aza‐1,3‐Dipolar Cycloadditions

     Article • European Journal of Organic Chemistry, August 2018, Wiley

     Professor Matthias Bickelhaupt

160. 
     Highly Stable and Selective Tetrazines for the Coordination-Assisted Bioorthogonal Ligation with Vinylboronic Acids

     Article • Bioconjugate Chemistry, August 2018, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

161. 
     Arylic C–X Bond Activation by Palladium Catalysts: Activation Strain Analyses of Reactivity Trends

     Article • Scientific Reports, July 2018, Springer Science + Business Media

     Professor Matthias Bickelhaupt

162. 
     Anion Recognition by Organometallic Calixarenes: Analysis from Relativistic DFT Calculations

     Article • Organometallics, June 2018, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

163. 
     Group 9 Metallacyclopentadienes as Key Intermediates in [2+2+2] Alkyne Cyclotrimerizations. Insight from Activation Strain Analyses

     Article • ChemPhysChem, May 2018, Wiley

     Professor Matthias Bickelhaupt

164. 
     Nucleophilic Substitution (SN 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent

     Article • ChemPhysChem, April 2018, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

165. 
     Front Cover: Nucleophilic Substitution (SN 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent (ChemPhysChem 11/2018)

     Article • ChemPhysChem, April 2018, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

166. 
     Nucleophilic Substitution (SN 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent

     Article • ChemPhysChem, April 2018, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

167. 
     Cover Feature: Ion‐Pair SN2 Reaction of OH− and CH3Cl: Activation Strain Analyses of Counterion and Solvent Effects (Chem. Asian J. 9/2018)

     Article • Chemistry - An Asian Journal, April 2018, Wiley

     Professor Matthias Bickelhaupt

168. 
     Ion‐Pair SN2 Reaction of OH− and CH3Cl: Activation Strain Analyses of Counterion and Solvent Effects

     Article • Chemistry - An Asian Journal, April 2018, Wiley

     Professor Matthias Bickelhaupt

169. 
     Nucleophilic Substitution in Solution: Activation Strain Analysis of Weak and Strong Solvent Effects

     Article • Chemistry - A European Journal, March 2018, Wiley

     Professor Matthias Bickelhaupt

170. 
     Tuning Heterocalixarenes to Improve Their Anion Recognition: A Computational Approach

     Article • The Journal of Physical Chemistry A, March 2018, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

171. 
     Doppelte CH‐Aktivierung eines maskierten Bismutamid‐Kations

     Article • Angewandte Chemie, March 2018, Wiley

     Professor Matthias Bickelhaupt

172. 
     Double CH Activation of a Masked Cationic Bismuth Amide

     Article • Angewandte Chemie, March 2018, Wiley

     Professor Matthias Bickelhaupt

173. 
     Origins of the Endo and Exo Selectivities in Cyclopropenone, Iminocyclopropene, and Triafulvene Diels–Alder Cycloadditions

     Article • The Journal of Organic Chemistry, February 2018, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

174. 
     Trifluoromethyl Vinyl Sulfide: A Building Block for the Synthesis of CF3S-Containing Isoxazolidines

     Article • The Journal of Organic Chemistry, January 2018, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

175. 
     Recognition of shorter and longer trimethyllysine analogues by epigenetic reader proteins

     Article • Chemical Communications, January 2018, Royal Society of Chemistry

     Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

176. 
     Glucose-nucleobase pairs within DNA: impact of hydrophobicity, alternative linking unit and DNA polymerase nucleotide insertion studies

     Article • Chemical Science, January 2018, Royal Society of Chemistry

     Ramon Eritja, Professor Matthias Bickelhaupt

177. 
     Regioselectivity of the Pauson–Khand reaction in single-walled carbon nanotubes

     Article • Nanoscale, January 2018, Royal Society of Chemistry

     Prof. Dr. Miquel Solà, Professor Matthias Bickelhaupt

178. 
     How Mg2+ ions lower the SN2@P barrier in enzymatic triphosphate hydrolysis

     Article • Chemical Communications, January 2018, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

179. 
     Nature and strength of chalcogen–π bonds

     Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

180. 
     Oxidation of organic diselenides and ditellurides by H2O2for bioinspired catalyst design

     Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

181. 
     Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site

     Article • ChemPhysChem, October 2017, Wiley

     Professor Matthias Bickelhaupt

182. 
     Front Cover: Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site (ChemPhysChem 21/2017)

     Article • ChemPhysChem, October 2017, Wiley

     Professor Matthias Bickelhaupt

183. 
     Integrative Theory/Experiment‐Driven Exploration of a Multicomponent Reaction towards Imidazoline‐2‐(thi)ones

     Article • European Journal of Organic Chemistry, October 2017, Wiley

     Professor Matthias Bickelhaupt

184. 
     Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site

     Article • ChemPhysChem, September 2017, Wiley

     Professor Matthias Bickelhaupt

185. 
     Cover Feature: Alkali Metal Cation Affinities of Anionic Main Group‐Element Hydrides Across the Periodic Table (Chem. Asian J. 19/2017)

     Article • Chemistry - An Asian Journal, September 2017, Wiley

     Professor Matthias Bickelhaupt

186. 
     Alkali Metal Cation Affinities of Anionic Main Group‐Element Hydrides Across the Periodic Table

     Article • Chemistry - An Asian Journal, September 2017, Wiley

     Professor Matthias Bickelhaupt

187. 
     Macrocycles All Aflutter: Substitution at an Allylic Center Reveals the Conformational Dynamics of [13]-Macrodilactones

     Article • Chemistry - An Asian Journal, September 2017, Wiley

     Professor Mark W Peczuh, Professor Matthias Bickelhaupt

188. 
     Kekulene: Structure, stability and nature of H•••H interactions in large PAHs

     Article • Molecular Astrophysics, September 2017, Elsevier

     Professor Matthias Bickelhaupt

189. 
     Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation−π Interactions

     Article • The Journal of Organic Chemistry, August 2017, American Chemical Society (ACS)

     Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

190. 
     Regio- and Stereoselectivity in 1,3-Dipolar Cycloadditions: Activation Strain Analyses for Reactions of Hydrazoic Acid with Substituted Alkenes

     Article • European Journal of Organic Chemistry, August 2017, Wiley

     Professor José Walkimar Carneiro, Professor Matthias Bickelhaupt

191. 
     Role of Orbital Interactions and Activation Strain (Distortion Energies) on Reactivities in the Normal and Inverse Electron-Demand Cycloadditions of Strained and Unstrained Cycloalkenes

     Article • The Journal of Organic Chemistry, August 2017, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

192. 
     Innentitelbild: Das Distortion/Interaction‐Activation‐Strain‐Modell zur Analyse von Reaktionsgeschwindigkeiten (Angew. Chem. 34/2017)

     Article • Angewandte Chemie, July 2017, Wiley

     Professor Matthias Bickelhaupt

193. 
     Inside Cover: Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model (Angew. Chem. Int. Ed. 34/2017)

     Article • Angewandte Chemie, July 2017, Wiley

     Professor Matthias Bickelhaupt

194. 
     Cesium's Off‐the‐Map Valence Orbital

     Article • Angewandte Chemie, July 2017, Wiley

     Professor Matthias Bickelhaupt

195. 
     Cesium's Off‐the‐Map Valence Orbital

     Article • Angewandte Chemie, July 2017, Wiley

     Professor Matthias Bickelhaupt

196. 
     Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model

     Article • Angewandte Chemie, July 2017, Wiley

     Professor Matthias Bickelhaupt

197. 
     Das Distortion/Interaction‐Activation‐Strain‐Modell zur Analyse von Reaktionsgeschwindigkeiten

     Article • Angewandte Chemie, July 2017, Wiley

     Professor Matthias Bickelhaupt

198. 
     Deracemization of a Racemic Allylic Sulfoxide Using Viedma Ripening

     Article • Crystal Growth & Design, July 2017, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

199. 
     Inside Back Cover: Understanding the Reactivity of Ion-Encapsulated Fullerenes (Chem. Eur. J. 46/2017)

     Article • Chemistry - A European Journal, July 2017, Wiley

     Dr Israel Fernandez, Prof. Dr. Miquel Solà, Professor Matthias Bickelhaupt

200. 
     Understanding the Reactivity of Ion-Encapsulated Fullerenes

     Article • Chemistry - A European Journal, July 2017, Wiley

     Dr Israel Fernandez, Prof. Dr. Miquel Solà, Professor Matthias Bickelhaupt

201. 
     Nature of the Ru−NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis

     Article • ChemistryOpen, March 2017, Wiley

     Professor Matthias Bickelhaupt

202. 
     Asymmetric identity S N 2 transition states: Nucleophilic substitution at α-substituted carbon and silicon centers

     Article • International Journal of Mass Spectrometry, February 2017, Elsevier

     Professor Matthias Bickelhaupt

203. 
     Activation Strain Analysis of SN2 Reactions at C, N, O, and F Centers

     Article • The Journal of Physical Chemistry A, January 2017, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

204. 
     Eight-coordinate fluoride in a silicate double-four-ring

     Article • Proceedings of the National Academy of Sciences, January 2017, Proceedings of the National Academy of Sciences

     Professor Matthias Bickelhaupt

205. 
     B-DNA model systems in non-terran bio-solvents: implications for structure, stability and replication

     Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

206. 
     How the electron-deficient cavity of heterocalixarenes recognizes anions: insights from computation

     Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

207. 
     Front cover

     Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

208. 
     Silylene-Induced Reduction of [Mn2(CO)10]: Formation of a Five-Coordinate Silicon(IV) Complex with an O-Bound [(OC)4Mn=Mn(CO)4]2-Ligand

     Article • European Journal of Inorganic Chemistry, December 2016, Wiley

     Professor Matthias Bickelhaupt

209. 
     Enhanced π-Back-Donation as a Way to Higher Coordination Numbers in d10[M(NHC)n] Complexes: A DFT Study

     Article • Chemistry - A European Journal, December 2016, Wiley

     Professor Matthias Bickelhaupt

210. 
     Formation of a Trifluorophosphane Platinum(II) Complex by P−F Bond Activation of Phosphorus Pentafluoride with a Pt0 Complex

     Article • Chemistry - A European Journal, November 2016, Wiley

     Professor Matthias Bickelhaupt

211. 
     Inside Cover: Deeper Insight into the Diels-Alder Reaction through the Activation Strain Model (Chem. Asian J. 23/2016)

     Article • Chemistry - An Asian Journal, November 2016, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

212. 
     4th International Conference on Chemical Bonding

     Article • The Journal of Physical Chemistry A, November 2016, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

213. 
     Deeper Insight into the Diels-Alder Reaction through the Activation Strain Model

     Article • Chemistry - An Asian Journal, November 2016, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

214. 
     New Insights into the Reactivity of Cisplatin with Free and Restrained Nucleophiles: Microsolvation Effects and Base Selectivity in Cisplatin–DNA Interactions

     Article • ChemPhysChem, October 2016, Wiley

     Professor Matthias Bickelhaupt

215. 
     Stereoselective Synthesis of 1-Tuberculosinyl Adenosine; a Virulence Factor of Mycobacterium tuberculosis

     Article • The Journal of Organic Chemistry, July 2016, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

216. 
     Understanding the Oxidative Addition of σ-Bonds to Group 13 Compounds

     Article • Chemistry - A European Journal, July 2016, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

217. 
     Glucose-Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA

     Article • Angewandte Chemie, June 2016, Wiley

     Ramon Eritja, Professor Matthias Bickelhaupt

218. 
     Glucose–Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA

     Article • Angewandte Chemie, June 2016, Wiley

     Professor Matthias Bickelhaupt

219. 
     Evidence for a chemical clock in oscillatory formation of UiO-66

     Article • Nature Communications, June 2016, Springer Science + Business Media

     Professor Matthias Bickelhaupt

220. 
     Addition–Elimination or Nucleophilic Substitution? Understanding the Energy Profiles for the Reaction of Chalcogenolates with Dichalcogenides

     Article • Journal of Chemical Theory and Computation, May 2016, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

221. 
     Synthesis and Hydrolysis of Alkoxy(aminoalkyl)diorganylsilanes of the Formula Type R2(RO)Si(CH2)nNH2 (R = Alkyl, n = 1–3): A Systematic Experimental and Computational Study

     Article • European Journal of Inorganic Chemistry, March 2016, Wiley

     Professor Matthias Bickelhaupt

222. 
     Reaction Mechanism and Regioselectivity of the Bingel-Hirsch Addition of Dimethyl Bromomalonate to La@C 2v -C82

     Article • Chemistry - A European Journal, March 2016, Wiley

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

223. 
     Alkali Metal Cation versus Proton and Methyl Cation Affinities: Structure and Bonding Mechanism

     Article • ChemistryOpen, February 2016, Wiley

     Professor Matthias Bickelhaupt

224. 
     Inside Back Cover: Ion-Pair SN 2 Substitution: Activation Strain Analyses of Counter-Ion and Solvent Effects (Chem. Eur. J. 13/2016)

     Article • Chemistry - A European Journal, February 2016, Wiley

     Professor Matthias Bickelhaupt

225. 
     Ion-Pair SN 2 Substitution: Activation Strain Analyses of Counter-Ion and Solvent Effects

     Article • Chemistry - A European Journal, February 2016, Wiley

     Professor Matthias Bickelhaupt

226. 
     Inside Cover: Source of Cooperativity in Halogen-Bonded Haloamine Tetramers (ChemPhysChem 4/2016)

     Article • ChemPhysChem, February 2016, Wiley

     Professor Matthias Bickelhaupt

227. 
     (4 + 2) and (2 + 2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature

     Article • The Journal of Physical Chemistry C, January 2016, American Chemical Society (ACS)

     Prof. Dr. Miquel Solà, Professor Matthias Bickelhaupt

228. 
     Source of Cooperativity in Halogen-Bonded Haloamine Tetramers

     Article • ChemPhysChem, January 2016, Wiley

     Professor Matthias Bickelhaupt

229. 
     Editorial for PCCP themed issue “Developments in Density Functional Theory”

     Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

230. 
     Reactivity and Selectivity of Bowl-Shaped Polycyclic Aromatic Hydrocarbons: Relationship to C60

     Article • Chemistry - A European Journal, December 2015, Wiley

     Dr Israel Fernandez, Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

231. 
     Chemical basis for the recognition of trimethyllysine by epigenetic reader proteins

     Article • Nature Communications, November 2015, Nature

     Prof. Dr. Jasmin Mecinovic, Professor Matthias Bickelhaupt

232. 
     Substituent effects on the optical properties of naphthalenediimides: A frontier orbital analysis across the periodic table

     Article • Journal of Computational Chemistry, October 2015, Wiley

     Professor Matthias Bickelhaupt

233. 
     Reactivity of the Donor‐Stabilized Silylenes [iPrNC(Ph)NiPr]2Si and [iPrNC(NiPr2)NiPr]2Si: Activation of CO2 and CS2

     Article • Chemistry - A European Journal, October 2015, Wiley

     Professor Matthias Bickelhaupt

234. 
     Inside Back Cover: Selective C−H and C−C Bond Activation: Electronic Regimes as a Tool for Designing d10MLnCatalysts (Chem. Asian J. 10/2015)

     Article • Chemistry - An Asian Journal, September 2015, Wiley

     Professor Matthias Bickelhaupt

235. 
     Cover Picture: Factors Controlling β‐Elimination Reactions in Group 10 Metal Complexes (Chem. Eur. J. 41/2015)

     Article • Chemistry - A European Journal, September 2015, Wiley

     Professor Matthias Bickelhaupt

236. 
     Innenrücktitelbild: Six‐Coordinate Group 13 Complexes: The Role of d Orbitals and Electron‐Rich Multi‐Center Bonding (Angew. Chem. 41/2015)

     Article • Angewandte Chemie, September 2015, Wiley

     Professor Matthias Bickelhaupt

237. 
     Inside Back Cover: Six‐Coordinate Group 13 Complexes: The Role of d Orbitals and Electron‐Rich Multi‐Center Bonding (Angew. Chem. Int. Ed. 41/2015)

     Article • Angewandte Chemie, September 2015, Wiley

     Professor Matthias Bickelhaupt

238. 
     Role of Steric Attraction and Bite-Angle Flexibility in Metal-Mediated C–H Bond Activation

     Article • ACS Catalysis, September 2015, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

239. 
     Factors Controlling β-Elimination Reactions in Group 10 Metal Complexes

     Article • Chemistry - A European Journal, August 2015, Wiley

     Dr Israel Fernandez, Professor Matthias Bickelhaupt

240. 
     Stable Four‐Coordinate Guanidinatosilicon(IV) Complexes with SiN3El Skeletons (El=S, Se, Te) and SiEl Double Bonds

     Article • Chemistry - A European Journal, August 2015, Wiley

     Professor Matthias Bickelhaupt

241. 
     Six‐Coordinate Group 13 Complexes: The Role of d Orbitals and Electron‐Rich Multi‐Center Bonding

     Article • Angewandte Chemie, August 2015, Wiley

     Professor Matthias Bickelhaupt

242. 
     Six‐Coordinate Group 13 Complexes: The Role of d Orbitals and Electron‐Rich Multi‐Center Bonding

     Article • Angewandte Chemie, August 2015, Wiley

     Professor Matthias Bickelhaupt

243. 
     Selective C−H and C−C Bond Activation: Electronic Regimes as a Tool for Designing d10MLnCatalysts

     Article • Chemistry - An Asian Journal, July 2015, Wiley

     Professor Matthias Bickelhaupt

244. 
     Computational (DFT) and Experimental (EXAFS) Study of the Interaction of [Ir(IMes)(H)2(L)3] with Substrates and Co‐substrates Relevant for SABRE in Dilute Systems

     Article • Chemistry - A European Journal, June 2015, Wiley

     Professor Matthias Bickelhaupt

245. 
     The activation strain model and molecular orbital theory

     Article • Wiley Interdisciplinary Reviews Computational Molecular Science, May 2015, Wiley

     Professor Matthias Bickelhaupt

246. 
     Inside Back Cover: Understanding the Reactivity of Endohedral Metallofullerenes: C78 versus Sc3N@C78 (Chem. Eur. J. 15/2015)

     Article • Chemistry - A European Journal, March 2015, Wiley

     Professor Matthias Bickelhaupt

247. 
     Understanding the Reactivity of Endohedral Metallofullerenes: C78versus Sc3N@C78

     Article • Chemistry - A European Journal, February 2015, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez, Prof. Dr. Miquel Solà

248. 
     Is There a Need to Discuss Atomic Orbital Overlap When Teaching Hydrogen–Halide Bond Strength and Acidity Trends in Organic Chemistry?

     Article • Journal of Chemical Education, February 2015, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

249. 
     Activation-Strain Analysis Reveals Unexpected Origin of Fast Reactivity in Heteroaromatic Azadiene Inverse-Electron-Demand Diels–Alder Cycloadditions

     Article • The Journal of Organic Chemistry, January 2015, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

250. 
     Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands

     Article • Chemical Science, January 2015, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

251. 
     Direct detection of the mercury–nitrogen bond in the thymine–HgII–thymine base-pair with 199Hg NMR spectroscopy

     Article • Chemical Communications, January 2015, Royal Society of Chemistry

     Dr Chojiro Kojima, Professor Yoshiyuki Tanaka, Professor Matthias Bickelhaupt

252. 
     Highly accelerated inverse electron-demand cycloaddition of electron-deficient azides with aliphatic cyclooctynes

     Article • Nature Communications, November 2014, Springer Science + Business Media

     Professor Matthias Bickelhaupt

253. 
     Reactions of the Donor-Stabilized Silylene Bis[N,N′-diisopropyl-benzamidinato(−)]silicon(II) with Brønsted Acids

     Article • Chemistry - A European Journal, October 2014, Wiley

     Professor Matthias Bickelhaupt

254. 
     Controlling the oxidative addition of aryl halides to Au(I)

     Article • Journal of Computational Chemistry, September 2014, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

255. 
     Origin of Reactivity Trends of Noble Gas Endohedral Fullerenes Ng 2 @C 60 (Ng = He to Xe)

     Article • Journal of Chemical Theory and Computation, September 2014, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Dr Israel Fernandez, Prof. Dr. Miquel Solà

256. 
     Inside Cover: New Concepts for Designing d10-M(L)nCatalysts: d Regime, s Regime and Intrinsic Bite-Angle Flexibility (Chem. Eur. J. 36/2014)

     Article • Chemistry - A European Journal, August 2014, Wiley

     Professor Matthias Bickelhaupt

257. 
     Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Lewis Acid/Base Reactions with Triorganylboranes

     Article • Chemistry - A European Journal, August 2014, Wiley

     Professor Matthias Bickelhaupt

258. 
     Thermodynamics of the CuII μ-Thiolate and CuI Disulfide Equilibrium: A Combined Experimental and Theoretical Study

     Article • Inorganic Chemistry, August 2014, American Chemical Society (ACS)

     Dr Sylvestre Bonnet, Professor Matthias Bickelhaupt

259. 
     New Concepts for Designing d10-M(L)nCatalysts: d Regime, s Regime and Intrinsic Bite-Angle Flexibility

     Article • Chemistry - A European Journal, July 2014, Wiley

     Professor Matthias Bickelhaupt

260. 
     Rationalizing the Structural Variability of the Exocyclic Amino Groups in Nucleobases and Their Metal Complexes: Cytosine and Adenine

     Article • Chemistry - A European Journal, July 2014, Wiley

     Professor Matthias Bickelhaupt

261. 
     Top-Beiträge aus unseren Schwesterzeitschriften: Angew. Chem. 47/2015

     Article • Angewandte Chemie, July 2014, Wiley

     Professor Matthias Bickelhaupt

262. 
     Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X

     Article • Journal of Molecular Modeling, June 2014, Springer Science + Business Media

     Professor Matthias Bickelhaupt

263. 
     The many faces of halogen bonding: a review of theoretical models and methods

     Article • Wiley Interdisciplinary Reviews Computational Molecular Science, June 2014, Wiley

     Dr Sebastian Kozuch, Professor Matthias Bickelhaupt

264. 
     Silicon α-Effect: A Systematic Experimental and Computational Study of the Hydrolysis of C α - and C γ -Functionalized Alkoxytriorganylsilanes of the Formula Type ROSiMe 2 (CH 2 ) n X (R = Me, Et; n = 1, 3; X = Functional Group)

     Article • Organometallics, June 2014, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

265. 
     Diastereoselective One-Pot Synthesis of Tetrafunctionalized 2-Imidazolines

     Article • The Journal of Organic Chemistry, June 2014, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

266. 
     The Donor-Stabilized Silylene Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Synthesis, Electronic Structure, and Reactivity

     Article • Chemistry - A European Journal, June 2014, Wiley

     Professor Matthias Bickelhaupt

267. 
     Theoretical and Experimental Study of Charge Transfer through DNA: Impact of Mercury Mediated T-Hg-T Base Pair

     Article • The Journal of Physical Chemistry B, May 2014, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Professor Yoshiyuki Tanaka

268. 
     The EDA Perspective of Chemical Bonding

     Article • May 2014, Wiley

     Professor Matthias Bickelhaupt

269. 
     Stabilisation of 2,6-Diarylpyridinium Cation by Through-Space Polar-π Interactions

     Article • Chemistry - A European Journal, April 2014, Wiley

     Professor Matthias Bickelhaupt, Prof. Dr. Jasmin Mecinovic

270. 
     Ene-ene-yne Reactions: Activation Strain Analysis and the Role of Aromaticity

     Article • Chemistry - A European Journal, February 2014, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

271. 
     Understanding E2 versus SN 2 Competition under Acidic and Basic Conditions

     Article • ChemistryOpen, January 2014, Wiley

     Professor Matthias Bickelhaupt

272. 
     The substituent effect on benzene dications

     Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

273. 
     The activation strain model and molecular orbital theory: understanding and designing chemical reactions

     Article • Chemical Society Reviews, January 2014, Royal Society of Chemistry

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

274. 
     B-DNA structure and stability: the role of hydrogen bonding, π–π stacking interactions, twist-angle, and solvation

     Article • Organic & Biomolecular Chemistry, January 2014, Royal Society of Chemistry

     Professor Matthias Bickelhaupt, Professor Marcel Swart

275. 
     d10-ML2 Complexes: Structure, Bonding, and Catalytic Activity

     Article • January 2014, Springer Science + Business Media

     Professor Matthias Bickelhaupt

276. 
     ChemInform Abstract: Reactivity in Nucleophilic Vinylic Substitution (SNV): SNVπversus SNVσMechanistic Dichotomy.

     Article • ChemInform, December 2013, Wiley

     Professor Matthias Bickelhaupt

277. 
     Origin of the “endo rule” in Diels-Alder reactions

     Article • Journal of Computational Chemistry, November 2013, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

278. 
     Indenyl Effect Due to Metal Slippage? Computational Exploration of Rhodium‐Catalyzed Acetylene [2+2+2] Cyclotrimerization

     Article • ChemPhysChem, November 2013, Wiley

     Professor Marcel Swart, Dr Laura Orian, Professor Matthias Bickelhaupt

279. 
     How the disulfide conformation determines the disulfide/thiol redox potential

     Article • Journal of Biomolecular Structure and Dynamics, November 2013, Taylor & Francis

     Professor Matthias Bickelhaupt

280. 
     Back Cover: In Silico Design of Heteroaromatic Half-Sandwich Rh I Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect (Chem. Eur. J. 40/2013)

     Article • Chemistry - A European Journal, September 2013, Wiley

     Dr Laura Orian, Professor Matthias Bickelhaupt

281. 
     Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N , S -Pyridine-2-thiolato(−) Ligands

     Article • Inorganic Chemistry, September 2013, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

282. 
     Normal-to-Abnormal Rearrangement and NHC Activation in Three-Coordinate Iron(II) Carbene Complexes

     Article • Journal of the American Chemical Society, September 2013, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

283. 
     Reactivity in Nucleophilic Vinylic Substitution (S N V):S N Vπ versus S N Vσ Mechanistic Dichotomy

     Article • The Journal of Organic Chemistry, September 2013, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

284. 
     In Silico Design of Heteroaromatic Half-Sandwich RhICatalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect

     Article • Chemistry - A European Journal, September 2013, Wiley

     Professor Matthias Bickelhaupt

285. 
     Aggregation and Cooperative Effects in the Aldol Reactions of Lithium Enolates

     Article • Chemistry - A European Journal, August 2013, Wiley

     Professor Matthias Bickelhaupt

286. 
     B-DNA Structure and Stability as Function of Nucleic Acid Composition: Dispersion-Corrected DFT Study of Dinucleoside Monophosphate Single and Double Strands

     Article • ChemistryOpen, August 2013, Wiley

     Professor Matthias Bickelhaupt, Professor Giampaolo Barone

287. 
     Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H−+CH4 ® CH4+H−

     Article • Molecules, July 2013, MDPI AG

     Professor Marcel Swart, Professor Matthias Bickelhaupt

288. 
     Erratum: Inter- and intramolecular dispersion interactions

     Article • Journal of Computational Chemistry, July 2013, Wiley

     Professor Matthias Bickelhaupt, Professor Marcel Swart, Prof. Dr. Miquel Solà

289. 
     Self-Assembly of N 3 -Substituted Xanthines in the Solid State and at the Solid–Liquid Interface

     Article • Langmuir, June 2013, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Professor Paolo Samorì

290. 
     Cover Picture: Nonlinear d10 -ML2 Transition-Metal Complexes (ChemistryOpen 3/2013)

     Article • ChemistryOpen, June 2013, Wiley

     Professor Matthias Bickelhaupt

291. 
     Nonlinear d10 -ML2 Transition-Metal Complexes

     Article • ChemistryOpen, June 2013, Wiley

     Professor Matthias Bickelhaupt

292. 
     Nonlinear d10 -ML2 Transition-Metal Complexes

     Article • ChemistryOpen, May 2013, Wiley

     Professor Matthias Bickelhaupt

293. 
     ChemInform Abstract: X2Y2Isomers: Tuning Structure and Relative Stability Through Electronegativity Differences (X: H, Li, Na, F, Cl, Br, I; Y: O, S, Se, Te).

     Article • ChemInform, April 2013, Wiley

     Professor Matthias Bickelhaupt

294. 
     Why Do Cycloaddition Reactions Involving C60Prefer [6,6] over [5,6] Bonds?

     Article • Chemistry - A European Journal, April 2013, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez, Prof. Dr. Miquel Solà

295. 
     Stereodivergent S N 2@P Reactions of Borane Oxazaphospholidines: Experimental and Theoretical Studies

     Article • Journal of the American Chemical Society, March 2013, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

296. 
     X 2 Y 2 Isomers: Tuning Structure and Relative Stability through Electronegativity Differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te)

     Article • Inorganic Chemistry, March 2013, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

297. 
     Supramolecular H-bonded porous networks at surfaces: exploiting primary and secondary interactions in a bi-component melamine–xanthine system

     Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

     Professor Matthias Bickelhaupt, Professor Paolo Samorì

298. 
     Symmetrical P4 cleavage at cobalt half sandwich complexes [(η5-C5H5)Co(L)] (L = CO, NHC) – a computational case study on the mechanism of symmetrical P4 degradation to P2 ligands

     Article • Dalton Transactions, January 2013, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

299. 
     Supramolecular Ring Structures of 7-Methylguanine: A Computational Study of Its Self-assembly and Anion Binding

     Article • Molecules, December 2012, MDPI AG

     Professor Matthias Bickelhaupt

300. 
     Complexes of 4-substituted phenolates with HF and HCN: Energy decomposition and electronic structure analyses of hydrogen bonding

     Article • Journal of Computational Chemistry, November 2012, Wiley

     Professor Matthias Bickelhaupt

301. 
     A computational study on the reactivity enhancement in the free radical polymerization of alkyl α‐hydroxymethacrylate and acrylate derivatives

     Article • Journal of Polymer Science Part A Polymer Chemistry, November 2012, Wiley

     Professor Matthias Bickelhaupt

302. 
     Solvent effects on hydrogen bonds in Watson–Crick, mismatched, and modified DNA base pairs

     Article • Computational and Theoretical Chemistry, October 2012, Elsevier

     Professor Marcel Swart, Professor Matthias Bickelhaupt

303. 
     Cover Picture: Type-I Dyotropic Reactions: Understanding Trends in Barriers (Chem. Eur. J. 39/2012)

     Article • Chemistry - A European Journal, September 2012, Wiley

     Professor Matthias Bickelhaupt

304. 
     Type-I Dyotropic Reactions: Understanding Trends in Barriers

     Article • Chemistry - A European Journal, August 2012, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

305. 
     Chemical Shifts in Nucleic Acids Studied by Density Functional Theory Calculations and Comparison with Experiment

     Article • Chemistry - A European Journal, August 2012, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

306. 
     Neutral Pentacoordinate Halogeno- and Pseudohalogenosilicon(IV) Complexes with a Tridentate Dianionic O,N,O or N,N,O Ligand: Synthesis and Structural Characterization in the Solid State and in Solution

     Article • European Journal of Inorganic Chemistry, May 2012, Wiley

     Professor Matthias Bickelhaupt

307. 
     Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

     Article • ChemistryOpen, April 2012, Wiley

     Professor Matthias Bickelhaupt

308. 
     The Role of Protein Plasticity in Computational Rationalization Studies on Regioselectivity in Testosterone Hydroxylation by Cytochrome P450 BM3 Mutants

     Article • Current Drug Metabolism, February 2012, Bentham Science Publishers

     Professor Matthias Bickelhaupt

309. 
     Theoretical Study of the Structure and Bonding in ThC 2 and UC 2

     Article • The Journal of Physical Chemistry A, January 2012, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

310. 
     On the origin of the steric effect

     Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

311. 
     Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand

     Article • Dalton Transactions, January 2012, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

312. 
     Guanine, Xanthine and Uric Acid Assemblies: Comparative Theoretical and Experimental Studies

     Article • January 2012, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

313. 
     A new DFT functional based on spin-states and SN2 barriers

     Article • January 2012, American Institute of Physics

     Professor Matthias Bickelhaupt, Professor Marcel Swart, Prof. Dr. Miquel Solà

314. 
     Alder-ene reaction: Aromaticity and activation-strain analysis

     Article • Journal of Computational Chemistry, December 2011, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

315. 
     Organomagnesium clusters: Structure, stability, and bonding in archetypal models

     Article • Journal of Organometallic Chemistry, December 2011, Elsevier

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

316. 
     Silver(I)-mediated Hoogsteen-type base pairs

     Article • Journal of Inorganic Biochemistry, November 2011, Elsevier

     Professor Matthias Bickelhaupt

317. 
     Telomere Structure and Stability: Covalency in Hydrogen Bonds, Not Resonance Assistance, Causes Cooperativity in Guanine Quartets

     Article • Chemistry - A European Journal, October 2011, Wiley

     Professor Matthias Bickelhaupt

318. 
     tert -Butyl Cation Affinities of Maingroup-Element Hydrides: Effect of Methyl Substituents at the Protophilic Center

     Article • The Journal of Physical Chemistry A, July 2011, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

319. 
     Remote Communication in a DNA-Based Nanoswitch

     Article • Chemistry - A European Journal, July 2011, Wiley

     Professor Matthias Bickelhaupt

320. 
     Alkali-Metal-Supported Bismuth Polyhedra—Principles and Theoretical Studies

     Article • Inorganic Chemistry, June 2011, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

321. 
     Contiguous Metal‐Mediated Base Pairs Comprising Two Ag I Ions

     Article • Chemistry - A European Journal, May 2011, Wiley

     Professor Matthias Bickelhaupt

322. 
     Regioselectivity in Electrophilic Aromatic Substitution: Insights from Interaction Energy Decomposition Potentials

     Article • European Journal of Organic Chemistry, April 2011, Wiley

     Professor Matthias Bickelhaupt

323. 
     Aromaticity and Activation Strain Analysis of [3 + 2] Cycloaddition Reactions between Group 14 Heteroallenes and Triple Bonds

     Article • The Journal of Organic Chemistry, April 2011, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

324. 
     Chimeric GNA/DNA metal-mediated base pairs

     Article • Chemical Communications, January 2011, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

325. 
     Selectivity in DNA replication. Interplay of steric shape, hydrogen bonds, π-stacking and solvent effects

     Article • Chemical Communications, January 2011, Royal Society of Chemistry

     Professor Marcel Swart, Marcel Swart, Professor Matthias Bickelhaupt

326. 
     A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory

     Article • Chemical Communications, January 2011, Royal Society of Chemistry

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

327. 
     Multiscale modelling

     Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

328. 
     Radon hydrides: structure and bonding

     Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

     Dr Gabriel Merino, Professor Matthias Bickelhaupt

329. 
     All-metal aromatic clusters M42− (M = B, Al, and Ga). Are π-electrons distortive or not?

     Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

330. 
     Steric nature of the bite angle. A closer and a broader look

     Article • Dalton Transactions, January 2011, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

331. 
     3-Substituted xanthines as promising candidates for quadruplex formation: computational, synthetic and analytical studies

     Article • New Journal of Chemistry, January 2011, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

332. 
     Neutral and positively charged new purine tetramer structures: a computational study of xanthine and uric acid derivatives

     Article • New Journal of Chemistry, January 2011, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

333. 
     Inter‐ and intramolecular dispersion interactions

     Article • Journal of Computational Chemistry, November 2010, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

334. 
     Tandem mass spectrometry of silver-adducted ferrocenyl catalyst complexes

     Article • Journal of Mass Spectrometry, October 2010, Wiley

     Professor Matthias Bickelhaupt

335. 
     ChemInform Abstract: The Activation Strain Model of Chemical Reactivity

     Article • ChemInform, September 2010, Wiley

     Professor Matthias Bickelhaupt

336. 
     Steric effects on alkyl cation affinities of maingroup-element hydrides

     Article • Journal of Computational Chemistry, September 2010, Wiley

     Professor Matthias Bickelhaupt

337. 
     Density Functional Calculations of E2 and SN2 Reactions: Effects of the Choice of Method, Algorithm, and Numerical Accuracy

     Article • Journal of Chemical Theory and Computation, September 2010, American Chemical Society (ACS)

     Professor Marcel Swart, Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

338. 
     Methyl Cation Affinities of Neutral and Anionic Maingroup-Element Hydrides: Trends Across the Periodic Table and Correlation with Proton Affinities

     Article • The Journal of Physical Chemistry A, July 2010, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

339. 
     ChemInform Abstract: Scope and Limitations of an Efficient Four-Component Reaction for Dihydropyridin-2-ones.

     Article • ChemInform, June 2010, Wiley

     Professor Matthias Bickelhaupt

340. 
     ChemInform Abstract: Understanding Reactivity with Kohn-Sham Molecular Orbital Theory: E2-SN2 Mechanistic Spectrum and Other Concepts

     Article • ChemInform, June 2010, Wiley

     Professor Matthias Bickelhaupt

341. 
     ChemInform Abstract: 1,4-Diphosphabutadiyne: A Realistic Target for Synthesis? A Theoretical Investigation of C2P2, C2N2, [Cr(CO)5PCCP], and [(CO)5Cr(PCCP)Cr(CO)5].

     Article • ChemInform, June 2010, Wiley

     Professor Matthias Bickelhaupt

342. 
     ChemInform Abstract: The Short N-F Bond in N2F+ and How Pauli Repulsion Influences Bond Lengths. Theoretical Study of N2X+, and NF3X+ and NH3X+ (X: F, H)

     Article • ChemInform, May 2010, Wiley

     Professor Matthias Bickelhaupt

343. 
     Stacked DNA-base quartets: Structure, chemistry and computational intricacies

     Article • Procedia Computer Science, May 2010, Elsevier

     Professor Matthias Bickelhaupt

344. 
     Comment on “The Interplay between Steric and Electronic Effects in SN2 Reactions”

     Article • Chemistry - A European Journal, April 2010, Wiley

     Professor Matthias Bickelhaupt

345. 
     E2 and S N 2 Reactions of X − + CH 3 CH 2 X (X = F, Cl); an ab Initio and DFT Benchmark Study

     Article • Journal of Chemical Theory and Computation, April 2010, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

346. 
     Catalyst selection based on intermediate stability measured by mass spectrometry

     Article • Nature Chemistry, April 2010, Springer Science + Business Media

     Professor Matthias Bickelhaupt, Professor Joost Reek

347. 
     Scope and Limitations of an Efficient Four-Component Reaction for Dihydropyridin-2-ones

     Article • The Journal of Organic Chemistry, March 2010, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

348. 
     C(CN)5–: transition state or intermediate?

     Article • Mendeleev Communications, March 2010, Elsevier

     Professor Matthias Bickelhaupt

349. 
     The activation strain model of chemical reactivity

     Article • Organic & Biomolecular Chemistry, January 2010, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

350. 
     Halogen versus halide electronic structure

     Article • January 2010, Springer Science + Business Media

     Professor Matthias Bickelhaupt

351. 
     Double Group Transfer Reactions: Role of Activation Strain and Aromaticity in Reaction Barriers

     Article • Chemistry - A European Journal, December 2009, Wiley

     Professor Matthias Bickelhaupt, Dr Israel Fernandez

352. 
     A chemist's guide to valence bond theory

     Article • Journal of Computational Chemistry, December 2009, Wiley

     Professor Matthias Bickelhaupt

353. 
     Homolytic versus Heterolytic Dissociation of Alkalimetal Halides: The Effect of Microsolvation

     Article • ChemPhysChem, November 2009, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

354. 
     Differential stabilization of adenine quartets by anions and cations

     Article • JBIC Journal of Biological Inorganic Chemistry, November 2009, Springer Science + Business Media

     Professor Marcel Swart, Professor Matthias Bickelhaupt

355. 
     Adenine versus guanine quartets in aqueous solution: dispersion-corrected DFT study on the differences in π-stacking and hydrogen-bonding behavior

     Article • Theoretical Chemistry Accounts, September 2009, Springer Science + Business Media

     Professor Marcel Swart, Professor Matthias Bickelhaupt

356. 
     A new all-round density functional based on spin states and SN2 barriers

     Article • The Journal of Chemical Physics, September 2009, American Institute of Physics

     Professor Marcel Swart, Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

357. 
     Alkali Metal Complexes of Silyl-Substituted ansa -(Tris)allyl Ligands: Metal-, Co-Ligand- and Substituent-Dependent Stereochemistry

     Article • European Journal of Inorganic Chemistry, September 2009, Wiley

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

358. 
     Hypervalent Carbon Atom: “Freezing” the SN2 Transition State

     Article • Angewandte Chemie, August 2009, Wiley

     Professor Matthias Bickelhaupt

359. 
     Hypervalent Carbon Atom: “Freezing” the SN2 Transition State

     Article • Angewandte Chemie, August 2009, Wiley

     Professor Matthias Bickelhaupt

360. 
     Bonding of Xenon Hydrides

     Article • The Journal of Physical Chemistry A, August 2009, American Chemical Society (ACS)

     Dr Gabriel Merino, Professor Matthias Bickelhaupt

361. 
     Switching between OPTX and PBE exchange functionals

     Article • Journal of Computational Methods in Sciences and Engineering, July 2009, IOS Press

     Professor Marcel Swart, Professor Matthias Bickelhaupt

362. 
     Structural Interpretation of J Coupling Constants in Guanosine and Deoxyguanosine: Modeling the Effects of Sugar Pucker, Backbone Conformation, and Base Pairing

     Article • The Journal of Physical Chemistry A, July 2009, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

363. 
     Bond activation by group-11 transition-metal cations1

     Article • Canadian Journal of Chemistry, July 2009, Canadian Science Publishing

     Professor Matthias Bickelhaupt

364. 
     The Steric Nature of the Bite Angle

     Article • Chemistry - A European Journal, June 2009, Wiley

     Professor Matthias Bickelhaupt

365. 
     Dihydrogen Bonding: Donor-Acceptor Bonding (AH⋅⋅⋅HX) versus the H2Molecule (AH2X)

     Article • Chemistry - A European Journal, June 2009, Wiley

     Professor Matthias Bickelhaupt

366. 
     A Ditopic Ion‐Pair Receptor Based on Stacked Nucleobase Quartets

     Article • Angewandte Chemie, April 2009, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

367. 
     A Ditopic Ion‐Pair Receptor Based on Stacked Nucleobase Quartets

     Article • Angewandte Chemie, April 2009, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

368. 
     ChemInform Abstract: Tricarbonylchromium Complexes of [5]- and [6]-Metacyclophane: An Experimental and Theoretical Study.

     Article • ChemInform, April 2009, Wiley

     Professor Matthias Bickelhaupt

369. 
     A Helicoid Ferrocene

     Article • Inorganic Chemistry, March 2009, American Chemical Society (ACS)

     Dr Gabriel Merino, Professor Matthias Bickelhaupt, Dr Miguel A Mendez-Rojas

370. 
     Bonding capabilities of imidazol-2-ylidene ligands in group-10 transition-metal chemistry

     Article • Coordination Chemistry Reviews, March 2009, Elsevier

     Professor Matthias Bickelhaupt

371. 
     Trends and anomalies in H–AHn and CH3–AHn bond strengths (AHn = CH3, NH2, OH, F)

     Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

372. 
     Stepwise walden inversion in nucleophilic substitution at phosphorus

     Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

     Professor Marcel Swart, Professor Matthias Bickelhaupt

373. 
     π-Electronic communication through mono and multinuclear gold(I) complexes

     Article • International Journal of Quantum Chemistry, January 2009, Wiley

     Professor Matthias Bickelhaupt

374. 
     Rare Tautomers of 1‐Methyluracil and 1‐Methylthymine: Tuning Relative Stabilities through Coordination to PtII Complexes

     Article • Chemistry - A European Journal, December 2008, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

375. 
     Aromaticity and Antiaromaticity in 4-, 6-, 8-, and 10-Membered Conjugated Hydrocarbon Rings†

     Article • The Journal of Physical Chemistry A, December 2008, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

376. 
     Tricarbonylchromium complexes of [5]- and [6]metacyclophane: an experimental and theoretical study

     Article • Tetrahedron, December 2008, Elsevier

     Professor Matthias Bickelhaupt

377. 
     The Grignard Reagent Formation Reaction of 2-Chloro-1,1,1-triphenylethane Revisited

     Article • European Journal of Organic Chemistry, December 2008, Wiley

     Professor Matthias Bickelhaupt

378. 
     Nucleophilicity and Leaving-Group Ability in Frontside and Backside S N 2 Reactions

     Article • The Journal of Organic Chemistry, September 2008, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

379. 
     Role of the variable active site residues in the function of thioredoxin family oxidoreductases

     Article • Journal of Computational Chemistry, September 2008, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

380. 
     Attraktiv und überzeugend

     Article • Angewandte Chemie, September 2008, Wiley

     Professor Matthias Bickelhaupt

381. 
     Attractive and Convincing

     Article • Angewandte Chemie, September 2008, Wiley

     Professor Matthias Bickelhaupt

382. 
     Frontside versus Backside SN2 Substitution at Group 14 Atoms: Origin of Reaction Barriers and Reasons for Their Absence

     Article • Chemistry - An Asian Journal, August 2008, Wiley

     Professor Matthias Bickelhaupt

383. 
     Hypervalent versus Nonhypervalent Carbon in Noble-Gas Complexes

     Article • Chemistry - A European Journal, August 2008, Wiley

     Professor Matthias Bickelhaupt

384. 
     Intercalation of Daunomycin into Stacked DNA Base Pairs. DFT Study of an Anticancer Drug

     Article • Journal of Biomolecular Structure and Dynamics, August 2008, Taylor & Francis

     Professor Matthias Bickelhaupt, Professor Giampaolo Barone

385. 
     Linkage Isomerism of Nitriles in Rhodium Half-Sandwich Metallacycles

     Article • Organometallics, July 2008, American Chemical Society (ACS)

     Dr Laura Orian, Professor Matthias Bickelhaupt

386. 
     Bonding of Imidazol-2-ylidene Ligands in Nickel Complexes

     Article • Organometallics, July 2008, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

387. 
     Reaction Coordinates and the Transition-Vector Approximation to the IRC

     Article • Journal of Chemical Theory and Computation, June 2008, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

388. 
     E2 and S N 2 Reactions of X − + CH 3 CH 2 X (X = F, Cl); an ab Initio and DFT Benchmark Study

     Article • Journal of Chemical Theory and Computation, June 2008, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

389. 
     Watson-crick base pairs with thiocarbonyl groups: How sulfur changes the hydrogen bonds in DNA

     Article • Open Chemistry, March 2008, De Gruyter

     Professor Matthias Bickelhaupt

390. 
     Role of s−p Orbital Mixing in the Bonding and Properties of Second-Period Diatomic Molecules

     Article • The Journal of Physical Chemistry A, March 2008, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

391. 
     Mechanism of Thioredoxin-Catalyzed Disulfide Reduction. Activation of the Buried Thiol and Role of the Variable Active-Site Residues

     Article • The Journal of Physical Chemistry B, February 2008, American Chemical Society (ACS)

     Professor Marcel Swart, Professor Matthias Bickelhaupt

392. 
     Nucleophilic Substitution at C, Si and P: How Solvation Affects the Shape of Reaction Profiles

     Article • European Journal of Organic Chemistry, February 2008, Wiley

     Professor Matthias Bickelhaupt

393. 
     Nucleophilic Substitution at C, Si and P: How Solvation Affects the Shape of Reaction Profiles (Eur. J. Org. Chem. 4/2008)

     Article • European Journal of Organic Chemistry, February 2008, Wiley

     Professor Matthias Bickelhaupt

394. 
     Cover Picture: Hypervalent Silicon versus Carbon: Ball-in-a-Box Model (Chem. Eur. J. 3/2008)

     Article • Chemistry - A European Journal, January 2008, Wiley

     Professor Matthias Bickelhaupt

395. 
     Hypervalent Silicon versus Carbon: Ball-in-a-Box Model

     Article • Chemistry - A European Journal, January 2008, Wiley

     Professor Matthias Bickelhaupt

396. 
     Hydrogen bonding of 3- and 5-methyl-6-aminouracil with natural DNA bases

     Article • New Journal of Chemistry, January 2008, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

397. 
     Aromaticity in Heterocyclic and Inorganic Benzene Analogues

     Article • Australian Journal of Chemistry, January 2008, CSIRO Publishing

     Professor Matthias Bickelhaupt

398. 
     Nucleophilic Substitution at Phosphorus Centers (SN2@P)

     Article • ChemPhysChem, November 2007, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

399. 
     Aromaticity: Molecular-Orbital Picture of an Intuitive Concept

     Article • Chemistry - A European Journal, October 2007, Wiley

     Professor Matthias Bickelhaupt

400. 
     QUILD: QUantum‐regions interconnected by local descriptions

     Article • Journal of Computational Chemistry, September 2007, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

401. 
     Hypervalence and the delocalizing versus localizing propensities of H 3 – , Li 3 – , CH 5 – and SiH 5 –

     Article • Structural Chemistry, September 2007, Springer Science + Business Media

     Professor Matthias Bickelhaupt

402. 
     π-π stacking tackled with density functional theory

     Article • Journal of Molecular Modeling, September 2007, Springer Science + Business Media

     Professor Marcel Swart, Professor Matthias Bickelhaupt

403. 
     Proton Affinities in Water of Maingroup‐Element Hydrides – Effects of Hydration and Methyl Substitution

     Article • European Journal of Inorganic Chemistry, July 2007, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

404. 
     Aromaticity: Molecular-Orbital Picture of an Intuitive Concept

     Article • Chemistry - A European Journal, July 2007, Wiley

     Professor Matthias Bickelhaupt

405. 
     Cover Picture: Aromaticity: Molecular-Orbital Picture of an Intuitive Concept (Chem. Eur. J. 22/2007)

     Article • Chemistry - A European Journal, July 2007, Wiley

     Professor Matthias Bickelhaupt

406. 
     Cyclotrimerization Reactions Catalyzed by Rhodium(I) Half-Sandwich Complexes:  A Mechanistic Density Functional Study

     Article • Organometallics, June 2007, American Chemical Society (ACS)

     Dr Laura Orian, Professor Matthias Bickelhaupt

407. 
     Outer valence orbital response to proton positions in prototropic tautomers of adenine

     Article • Journal of Computational Methods in Sciences and Engineering, June 2007, SAGE Publications

     Professor Matthias Bickelhaupt

408. 
     Transition-State Energy and Position along the Reaction Coordinate in an Extended Activation Strain Model

     Article • ChemPhysChem, June 2007, Wiley

     Professor Matthias Bickelhaupt

409. 
     Table Salt and Other Alkali Metal Chloride Oligomers:  Structure, Stability, and Bonding

     Article • Inorganic Chemistry, June 2007, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

410. 
     Didehydrophenanthrenes:  Structure, Singlet−Triplet Splitting, and Aromaticity

     Article • The Journal of Physical Chemistry A, June 2007, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

411. 
     Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods

     Article • Journal of Computational Chemistry, March 2007, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

412. 
     Nucleophilic Substitution at Silicon (S N 2@Si) via a Central Reaction Barrier

     Article • The Journal of Organic Chemistry, March 2007, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

413. 
     Catalytic Carbon−Halogen Bond Activation:  Trends in Reactivity, Selectivity, and Solvation

     Article • Journal of Chemical Theory and Computation, March 2007, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

414. 
     Conformational Behavior of Basic Monomeric Building Units of Glycosaminoglycans:  Isolated Systems and Solvent Effect

     Article • The Journal of Physical Chemistry B, February 2007, American Chemical Society (ACS)

     Professor Marcel Swart, Professor Matthias Bickelhaupt, Professor Milan Remko

415. 
     Polycyclic Benzenoids:  Why Kinked is More Stable than Straight

     Article • The Journal of Organic Chemistry, February 2007, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

416. 
     Trapping of the highly strained [5](2,4)quinolinophane system

     Article • Tetrahedron, February 2007, Elsevier

     Professor Matthias Bickelhaupt

417. 
     Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry

     Article • January 2007, Wiley

     Professor Matthias Bickelhaupt

418. 
     Highly polar bonds and the meaning of covalency and ionicity—structure and bonding of alkali metal hydride oligomers

     Article • Faraday Discussions, January 2007, Royal Society of Chemistry

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

419. 
     General Discussion

     Article • Faraday Discussions, January 2007, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

420. 
     General Discussion

     Article • Faraday Discussions, January 2007, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

421. 
     PyFrag—Streamlining your reaction path analysis

     Article • Journal of Computational Chemistry, January 2007, Wiley

     Professor Matthias Bickelhaupt

422. 
     Orbital Overlap and Chemical Bonding

     Article • Chemistry - A European Journal, December 2006, Wiley

     Professor Matthias Bickelhaupt

423. 
     Marcel Swart, Matthias Bickelhaupt, Optimization of strong and weak coordinates, International Journal of Quantum Chemistry (2006) 106(12), 2536–2544.

     Article • International Journal of Quantum Chemistry, November 2006, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

424. 
     Oxidative addition to main group versus transition metals: Insights from the Activation Strain model

     Article • Journal of Organometallic Chemistry, October 2006, Elsevier

     Professor Matthias Bickelhaupt

425. 
     Nanoswitches Based on DNA Base Pairs: Why Adenin–Thymine is Less Suitable than Guanine–Cytosine

     Article • ChemPhysChem, September 2006, Wiley

     Professor Matthias Bickelhaupt

426. 
     Performance of various density functionals for the hydrogen bonds in DNA base pairs

     Article • Chemical Physics Letters, August 2006, Elsevier

     Professor Marcel Swart, Professor Matthias Bickelhaupt

427. 
     Nucleophilic Substitution at Phosphorus (SN2@P):  Disappearance and Reappearance of Reaction Barriers

     Article • Journal of the American Chemical Society, August 2006, American Chemical Society (ACS)

     Professor Marcel Swart, Professor Matthias Bickelhaupt

428. 
     Oxidative Addition versus Dehydrogenation of Methane, Silane, and Heavier AH 4 Congeners Reacting with Palladium

     Article • Organometallics, August 2006, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

429. 
     Proton affinities of maingroup‐element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation

     Article • Journal of Computational Chemistry, July 2006, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

430. 
     Covalency in Highly Polar Bonds. Structure and Bonding of Methylalkalimetal Oligomers (CH 3 M) n (M = Li−Rb; n = 1, 4)

     Article • Journal of Chemical Theory and Computation, July 2006, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

431. 
     [η2-8-(tert-Butylimino)-1-naphthyl]bis(η5-cyclopentadienyl)titanium(IV)

     Article • Acta Crystallographica Section E Structure Reports Online, June 2006, International Union of Crystallography

     Professor Matthias Bickelhaupt

432. 
     Oxidative Addition of Hydrogen Halides and Dihalogens to Pd. Trends in Reactivity and Relativistic Effects

     Article • The Journal of Physical Chemistry A, June 2006, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

433. 
     Supramolecular Switches Based on the Guanine–Cytosine (GC) Watson–Crick Pair: Effect of Neutral and Ionic Substituents

     Article • Chemistry - A European Journal, April 2006, Wiley

     Professor Matthias Bickelhaupt

434. 
     Bonding in Methylalkalimetals (CH 3 M) n (M = Li, Na, K; n = 1, 4). Agreement and Divergences between AIM and ELF Analyses †

     Article • The Journal of Physical Chemistry B, April 2006, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

435. 
     Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms-In-Molecules Theory, Does Not Exist

     Article • Chemistry - A European Journal, March 2006, Wiley

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

436. 
     A Model of the Chemical Bond Must Be Rooted in Quantum Mechanics, Provide Insight, and Possess Predictive Power

     Article • Chemistry - A European Journal, March 2006, Wiley

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

437. 
     Theoretical study of structure, pKa, lipophilicity, solubility, absorption, and polar surface area of some centrally acting antihypertensives

     Article • Bioorganic & Medicinal Chemistry, March 2006, Elsevier

     Professor Marcel Swart, Professor Matthias Bickelhaupt, Professor Milan Remko

438. 
     Oxidative Addition of the Chloromethane C−Cl Bond to Pd, an ab Initio Benchmark and DFT Validation Study

     Article • Journal of Chemical Theory and Computation, March 2006, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

439. 
     Adenine Tautomers:  Relative Stabilities, Ionization Energies, and Mismatch with Cytosine

     Article • The Journal of Physical Chemistry A, March 2006, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

440. 
     α-Stabilisierung von Carbanionen: Fluor übertrifft die schwereren Halogene

     Article • Angewandte Chemie, January 2006, Wiley

     Professor Matthias Bickelhaupt

441. 
     α-Stabilization of Carbanions: Fluorine Is More Effective than the Heavier Halogens

     Article • Angewandte Chemie, January 2006, Wiley

     Professor Matthias Bickelhaupt

442. 
     Structure and bonding of methyl alkali metal molecules

     Article • Journal of Molecular Modeling, January 2006, Springer Science + Business Media

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

443. 
     Optimization of strong and weak coordinates

     Article • International Journal of Quantum Chemistry, January 2006, Wiley

     Professor Marcel Swart, Professor Matthias Bickelhaupt

444. 
     Watson–Crick hydrogen bonds: nature and role in DNA replication

     Article • January 2006, Elsevier

     Professor Matthias Bickelhaupt

445. 
     Orbital interactions and charge redistribution in weak hydrogen bonds: Watson-Crick GC mimic involving CH proton donor and F proton acceptor groups

     Article • International Journal of Quantum Chemistry, January 2006, Wiley

     Professor Matthias Bickelhaupt

446. 
     Covalentversus ionic bonding in alkalimetal fluoride oligomers

     Article • Journal of Computational Chemistry, January 2006, Wiley

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

447. 
     Proton Affinities of Anionic Bases:  Trends Across the Periodic Table, Structural Effects, and DFT Validation

     Article • Journal of Chemical Theory and Computation, December 2005, American Chemical Society (ACS)

     Professor Marcel Swart, Professor Matthias Bickelhaupt

448. 
     High-resolution infrared spectroscopy of the charge-transfer complex [Ar–N2]+∙: A combined experimental/theoretical study

     Article • The Journal of Chemical Physics, October 2005, American Institute of Physics

     Professor Matthias Bickelhaupt

449. 
     Oxidative Addition of the Fluoromethane C−F Bond to Pd. An ab Initio Benchmark and DFT Validation Study

     Article • The Journal of Physical Chemistry A, October 2005, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

450. 
     Absolute Rates of Hole Transfer in DNA

     Article • Journal of the American Chemical Society, September 2005, American Chemical Society (ACS)

     Dr Kittusamy Senthilkumar, Professor Matthias Bickelhaupt

451. 
     Multicomponent Synthesis of 2‐Imidazolines.

     Article • ChemInform, August 2005, Wiley

     Professor Marcel Swart, Dr Robin S Bon, Professor Matthias Bickelhaupt

452. 
     Oxidative addition of the ethane CC bond to Pd. An ab initio benchmark and DFT validation study

     Article • Journal of Computational Chemistry, July 2005, Wiley

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

453. 
     (μ2-η2-2-tert-Butylethyn-1-yl)(μ2-chloro)bis{[bis(η5-cyclopentadienyl)dimethylsilane]titanium}

     Article • Acta Crystallographica Section E Structure Reports Online, June 2005, International Union of Crystallography

     Professor Matthias Bickelhaupt

454. 
     DFT benchmark study for the oxidative addition of CH4 to Pd. Performance of various density functionals

     Article • Chemical Physics, June 2005, Elsevier

     Professor Matthias Bickelhaupt

455. 
     Substituent Effects on Hydrogen Bonding in Watson–Crick Base Pairs. A Theoretical Study

     Article • Structural Chemistry, June 2005, Springer Science + Business Media

     Professor Matthias Bickelhaupt

456. 
     Activation of C–H, C–C and C–I bonds by Pd and cis-Pd(CO)2I2. Catalyst–substrate adaptation

     Article • Journal of Organometallic Chemistry, April 2005, Elsevier

     Professor Matthias Bickelhaupt

457. 
     Multicomponent Synthesis of 2-Imidazolines

     Article • The Journal of Organic Chemistry, March 2005, American Chemical Society (ACS)

     Professor Marcel Swart, Dr Robin S Bon, Professor Matthias Bickelhaupt

458. 
     Fragment-oriented design of catalysts based on the activation strain model

     Article • Molecular Physics, March 2005, Taylor & Francis

     Professor Matthias Bickelhaupt

459. 
     Activation of H−H, C−H, C−C and C−Cl Bonds by Pd and PdCl - . Understanding Anion Assistance in C−X Bond Activation

     Article • Journal of Chemical Theory and Computation, March 2005, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

460. 
     Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si)

     Article • Journal of Computational Chemistry, January 2005, Wiley

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

461. 
     Hydrogen Bonds of RNA Are Stronger than Those of DNA, but NMR Monitors Only Presence of Methyl Substituent in Uracil/Thymine

     Article • Journal of the American Chemical Society, December 2004, American Chemical Society (ACS)

     Professor Marcel Swart, Professor Matthias Bickelhaupt

462. 
     Ab initio benchmark study for the oxidative addition of CH4 to Pd: Importance of basis-set flexibility and polarization

     Article • The Journal of Chemical Physics, November 2004, American Institute of Physics

     Professor Matthias Bickelhaupt, Prof. Dr. Miquel Solà

463. 
     Activation of H−H, C−H, C−C, and C−Cl Bonds by Pd(0). Insight from the Activation Strain Model

     Article • The Journal of Physical Chemistry A, October 2004, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

464. 
     The rotation barrier in ethane

     Article • Nachrichten aus Chemie und Technik, May 2004, Wiley

     Peter Richard Schreiner, Professor Matthias Bickelhaupt

465. 
     Hydrogen Bonding in Mimics of Watson–Crick Base Pairs Involving CH Proton Donor and F Proton Acceptor Groups: A Theoretical Study

     Article • ChemPhysChem, April 2004, Wiley

     Professor Matthias Bickelhaupt

466. 
     (μ‐Methylene)bis(methylzirconocene): Preparation, Molecular Structure, and Thermal Disproportionation

     Article • European Journal of Inorganic Chemistry, March 2004, Wiley

     Professor Matthias Bickelhaupt

467. 
     In Quest of the Double Rotaxane Formation of the Bis(coronand) (1,5),(2,4)‐Durenetetrayl‐bis(18‐crown‐5) with Organomagnesium Compounds

     Article • European Journal of Inorganic Chemistry, December 2003, Wiley

     Professor Matthias Bickelhaupt

468. 
     Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies

     Article • The Journal of Chemical Physics, November 2003, American Institute of Physics

     Professor Matthias Bickelhaupt

469. 
     Mapping the Sites for Selective Oxidation of Guanines in DNA

     Article • Journal of the American Chemical Society, November 2003, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

470. 
     The Case for Steric Repulsion Causing the Staggered Conformation of Ethane

     Article • Angewandte Chemie, September 2003, Wiley

     Professor Matthias Bickelhaupt

471. 
     The Case for Steric Repulsion Causing the Staggered Conformation of Ethane

     Article • Angewandte Chemie, September 2003, Wiley

     Professor Matthias Bickelhaupt

472. 
     Book Review: Valence Bond Methods-Theory and Applications. By Gordon A. Gallup

     Article • ChemPhysChem, September 2003, Wiley

     Professor Matthias Bickelhaupt

473. 
     Orbital interactions and charge redistribution in weak hydrogen bonds: The Watson–Crick AT mimic adenine-2,4-difluorotoluene

     Article • The Journal of Chemical Physics, August 2003, American Institute of Physics

     Professor Matthias Bickelhaupt

474. 
     Buchbesprechung: Essentials of Computational Chemistry Theories and Models. Von Christopher J. Cramer

     Article • Angewandte Chemie, January 2003, Wiley

     Professor Matthias Bickelhaupt

475. 
     Book Review: Essentials of Computational Chemistry Theories and Models. By Christopher J. Cramer

     Article • Angewandte Chemie, January 2003, Wiley

     Professor Matthias Bickelhaupt

476. 
     Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis

     Article • Journal of Computational Chemistry, January 2003, Wiley

     Professor Matthias Bickelhaupt

477. 
     Tackling DNA with Density Functional Theory: Development and Application of Parallel and Order- N DFT Methods

     Article • July 2002, World Scientific Pub Co Pte Lt

     Professor Matthias Bickelhaupt

478. 
     Orbitalwechselwirkungen in starken und schwachen Wasserstoffbrücken sind essentiell für die DNA-Replikation Wir danken der Stiftung Nationale Computerfaciliteiten (NCF) der Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) für finanzielle U...

     Article • Angewandte Chemie, June 2002, Wiley

     Professor Matthias Bickelhaupt

479. 
     Orbital Interactions in Strong and Weak Hydrogen Bonds are Essential for DNA Replication We thank the National Research School Combination—Catalysis (NRSCC) for a postdoctoral fellowship for C.F.G. and the National Computer Facilities (NCF) foundation ...

     Article • Angewandte Chemie, June 2002, Wiley

     Professor Matthias Bickelhaupt

480. 
     Orbital Interactions in Hydrogen Bonds Important for Cohesion in Molecular Crystals and Mismatched Pairs of DNA Bases

     Article • Crystal Growth & Design, May 2002, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

481. 
     The Short N−F Bond in N 2 F + and How Pauli Repulsion Influences Bond Lengths. Theoretical Study of N 2 X + , NF 3 X + , and NH 3 X + (X = F, H)

     Article • Journal of the American Chemical Society, February 2002, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

482. 
     Buchbesprechung: Computational Chemistry. A Practical Guide for Applying Techniques to Real World Problems. Von David Young

     Article • Angewandte Chemie, January 2002, Wiley

     Professor Matthias Bickelhaupt

483. 
     Book Review: Computational Chemistry. A Practical Guide for Applying Techniques to Real World Problems. By David Young

     Article • Angewandte Chemie, January 2002, Wiley

     Professor Matthias Bickelhaupt

484. 
     Oxidative addition of Pd to C–H, C–C and C–Cl bonds: Importance of relativistic effects in DFT calculations

     Article • The Journal of Chemical Physics, September 2001, American Institute of Physics

     Professor Matthias Bickelhaupt

485. 
     ChemInform Abstract: (Ph4P)S6 - A Compound Containing the Cyclic Radical Anion S6×-.

     Article • ChemInform, March 2001, Wiley

     Professor Matthias Bickelhaupt

486. 
     Base-induced 1,4-elimination:Insights from theory and mass spectrometry

     Article • Mass Spectrometry Reviews, January 2001, Wiley

     Professor Matthias Bickelhaupt

487. 
     Chemistry with ADF

     Article • Journal of Computational Chemistry, January 2001, Wiley

     Professor Matthias Bickelhaupt

488. 
     (Ph4P)S6 – eine Verbindung mit dem cyclischen Radikalanion S6.−

     Article • Angewandte Chemie, December 2000, Wiley

     Professor Matthias Bickelhaupt

489. 
     (Ph4P)S6—A Compound Containing the Cyclic Radical Anion S6.

     Article • Angewandte Chemie, December 2000, Wiley

     Professor Matthias Bickelhaupt

490. 
     (Ph4P)S6—A Compound Containing the Cyclic Radical Anion S6.−

     Article • Angewandte Chemie, December 2000, Wiley

     Professor Matthias Bickelhaupt

491. 
     Structure and Bonding of Transition Metal−Boryl Compounds. Theoretical Study of [(PH 3 ) 2 (CO)ClOs−BR 2 ] and [(PH 3 ) 2 (CO) 2 ClOs−BR 2 ] (BR 2 = BH 2 , BF 2 , B(OH) 2 , B(OCHCHO), Bcat) †

     Article • Inorganic Chemistry, October 2000, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

492. 
     The Nature of the Transition Metal−Carbonyl Bond and the Question about the Valence Orbitals of Transition Metals. A Bond-Energy Decomposition Analysis of TM(CO) 6 q (TM q = Hf 2 - , Ta - , W, Re + , Os 2+ , Ir 3+ ) †

     Article • Journal of the American Chemical Society, July 2000, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

493. 
     Hydrogen Bonding in DNA Base Pairs:  Reconciliation of Theory and Experiment

     Article • Journal of the American Chemical Society, May 2000, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

494. 
     Reviews in Computational Chemistry

     Article • January 2000, Wiley

     Professor Matthias Bickelhaupt

495. 
     The Nature of the Hydrogen Bond in DNA Base Pairs: The Role of Charge Transfer and Resonance Assistance

     Article • Chemistry - A European Journal, December 1999, Wiley

     Professor Matthias Bickelhaupt

496. 
     Ladungstransfer und molekulare Umgebung sind verantwortlich für Eigenschaften von Wasserstoffbrücken in DNA-Basenpaaren

     Article • Angewandte Chemie, October 1999, Wiley

     Professor Matthias Bickelhaupt

497. 
     Charge Transfer and Environment Effects Responsible for Characteristics of DNA Base Pairing

     Article • Angewandte Chemie, October 1999, Wiley

     Professor Matthias Bickelhaupt

498. 
     Charge Transfer and Environment Effects Responsible for Characteristics of DNA Base Pairing

     Article • Angewandte Chemie, October 1999, Wiley

     Professor Matthias Bickelhaupt

499. 
     Koordinationseigenschaften der isolobalen Phosphaniminatound Cyclopentadienyl-Liganden in TiCl3(NPH3), TiCl3Cp, ReO3(NPH3) und ReO3Cp

     Article • Zeitschrift für anorganische und allgemeine Chemie, June 1999, Wiley

     Professor Matthias Bickelhaupt

500. 
     Understanding reactivity with Kohn-Sham molecular orbital theory: E2-SN2 mechanistic spectrum and other concepts

     Article • Journal of Computational Chemistry, January 1999, Wiley

     Professor Matthias Bickelhaupt

501. 
     1,4-Diphosphabutadiyne: A Realistic Target for Synthesis? A Theoretical Investigation of C2P2, C2N2, [Cr(CO)5PCCP], and [(CO)5Cr(PCCP)Cr(CO)5]

     Article • Chemistry - A European Journal, January 1999, Wiley

     Professor Matthias Bickelhaupt

502. 
     Nature of the Three-Electron Bond in H 2 S∴SH 2 +   †

     Article • The Journal of Physical Chemistry A, November 1998, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

503. 
     Sulfur–sulfur three-electron bond dissociation enthalpies of dialkyl sulfide dimer radical cations

     Article • International Journal of Mass Spectrometry, November 1998, Elsevier

     Professor Matthias Bickelhaupt

504. 
     Kristallstruktur und Bindungsverhältnisse von [W(O-t-Bu)4(THF)]

     Article • Zeitschrift für anorganische und allgemeine Chemie, September 1998, Wiley

     Professor Matthias Bickelhaupt

505. 
     Kristallstruktur und Bindungsverhältnisse von [W(O-t-Bu)4(THF)]

     Article • Zeitschrift für anorganische und allgemeine Chemie, September 1998, Wiley

     Professor Matthias Bickelhaupt

506. 
     Is CO a Special Ligand in Organometallic Chemistry? Theoretical Investigation of AB, Fe(CO)4AB, and Fe(AB)5 (AB = N2, CO, BF, SiO)

     Article • Inorganic Chemistry, February 1998, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

507. 
     Alternatives to the CO Ligand: Coordination of the Isolobal Analogues BF, BNH2, BN(CH3)2, and BO− in Mono- and Binuclear First-Row Transition Metal Complexes

     Article • Chemistry - A European Journal, February 1998, Wiley

     Professor Matthias Bickelhaupt

508. 
     Might BF and BNR2 be alternatives to CO? A theoretical quest for new ligands in organometallic chemistry

     Article • New Journal of Chemistry, January 1998, Royal Society of Chemistry

     Professor Matthias Bickelhaupt

509. 
     “Forbidden” Four-Center Reactions:  Molecular Orbital Considerations for N 2 + N 2 and N 2 + N 2 +

     Article • The Journal of Physical Chemistry A, October 1997, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

510. 
     The Effect of Microsolvation on E2 and SN2 Reactions: Theoretical Study of the Model System F− + C2H5F +nHF

     Article • Chemistry - A European Journal, February 1996, Wiley

     Professor Matthias Bickelhaupt

511. 
     The Carbon−Lithium Electron Pair Bond in (CH 3 Li) n ( n = 1, 2, 4)

     Article • Organometallics, January 1996, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

512. 
     CH 3 • Is Planar Due to H−H Steric Repulsion. Theoretical Study of MH 3 • and MH 3 Cl (M = C, Si, Ge, Sn)

     Article • Organometallics, January 1996, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

513. 
     Gas-Phase Base-Induced 1,4-Eliminations:  Occurrence of Single-, Double-, and Triple-Well E1cb Mechanisms J . Am . Chem . Soc . 1995 , 117 , 9889−9899

     Article • Journal of the American Chemical Society, January 1996, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

514. 
     Gas-Phase Base-Induced 1,4-Eliminations: Occurrence of Single-, Double-, and Triple-Well E1cb Mechanisms

     Article • Journal of the American Chemical Society, October 1995, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

515. 
     ChemInform Abstract: Structure and Stability of the Li2CN Molecule. An Experimental and ab Initio Study.

     Article • ChemInform, August 1995, Wiley

     Professor Matthias Bickelhaupt

516. 
     Oxidative Insertion as Frontside SN2 Substitution: A Theoretical Study of the Model Reaction System Pd + CH3Cl

     Article • Organometallics, May 1995, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

517. 
     Theoretical investigation of the relative stabilities ofXSSXandX2SS isomers (X= F, Cl, H, and CH3)

     Article • Journal of Computational Chemistry, April 1995, Wiley

     Professor Matthias Bickelhaupt

518. 
     Structure and Stability of the Li2CN Molecule. An Experimental and ab Initio Study

     Article • The Journal of Physical Chemistry B, April 1995, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

519. 
     Theoretical investigation on base-induced 1,2-eliminations in the model system fluoride ion + fluoroethane. The role of the base as a catalyst

     Article • Journal of the American Chemical Society, October 1993, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

520. 
     ChemInform Abstract: Base‐Induced Imine‐Forming 1,2‐Elimination Reactions in the Gas Phase.

     Article • ChemInform, August 1993, Wiley

     Professor Matthias Bickelhaupt

521. 
     Base-induced imine-forming 1,2-elimination reactions in the gas phase

     Article • The Journal of Organic Chemistry, April 1993, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

522. 
     Anionic ether cleavage of tetrahydrofuran in the gas phase

     Article • Tetrahedron, March 1993, Elsevier

     Professor Matthias Bickelhaupt

523. 
     Central bond in the three CN.cntdot.dimers NC-CN, CN-CN and CN-NC: electron pair bonding and Pauli repulsion effects

     Article • The Journal of Physical Chemistry B, June 1992, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

524. 
     Multi-step processes in gas-phase reactions of halomethyl anions XCH2? (X = Cl,Br) with CH3X and NH3

     Article • Journal of Physical Organic Chemistry, April 1992, Wiley

     Professor Matthias Bickelhaupt

525. 
     Unusual reactivity of small cyclophanes: nucleophilic attack on 11-chloro- and 8,11-dichloro[5]metacyclophane [Erratum to document cited in CA113(13):114434b]

     Article • Journal of the American Chemical Society, September 1991, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

526. 
     Isolated excited electronic states in the unimolecular gas-phase ion dissociation processes of the radical cations of isocyanogen and cyanogen

     Article • International Journal of Mass Spectrometry and Ion Processes, January 1991, Elsevier

     Professor Matthias Bickelhaupt

527. 
     Unusual reactivity of small cyclophanes: nucleophilic attack on 11-chloro- and 8,11-dichloro[5]metacyclophane

     Article • Journal of the American Chemical Society, August 1990, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

528. 
     Model systems for initial stages in oxidative-addition reactions. Theoretical investigation of .eta.1 and .eta.2 coordination of difluorine and dihydrogen to tetrachloroplatinate(2-) and chromium pentacarbonyl

     Article • Inorganic Chemistry, January 1990, American Chemical Society (ACS)

     Professor Matthias Bickelhaupt

529. 
     Substituent Effects on Hydrogen Bonds in DNA

     Article • Springer Science + Business Media

     Professor Matthias Bickelhaupt

530. 
     Structure and bonding of methyl alkali metal molecules

     Article • Springer Science + Business Media

     Professor Matthias Bickelhaupt

531. 
     Article • American Chemical Society (ACS)

     Professor Matthias Bickelhaupt