All Stories

  1. Research Data Without Borders: How the Sections of the NFDI Work on Cross-Cutting Topics Across Disciplines and Consortia

    Article • June 2023, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Sonja Herres-Pawlis, Dr.-Ing. Peter Pelz

  2. Undiscovered Potential: Ge Catalysts for Lactide Polymerization

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

    Professor Sonja Herres-Pawlis

  3. Undiscovered Potential: Ge Catalysts for Lactide Polymerization

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

    Professor Sonja Herres-Pawlis

  4. How coherent structures dominate the residence time in a bubble wake: An experimental example

    Article • Chemical Engineering Science, November 2019, Elsevier

    Professor Sonja Herres-Pawlis

  5. Using a bio-inspired copper complex to investigate reactive mass transfer around an oxygen bubble rising freely in a thin-gap cell

    Article • Chemical Engineering Science, November 2019, Elsevier

    Professor Sonja Herres-Pawlis

  6. Cover Feature: One-Pot Two-Step Chemoenzymatic Cascade for the Synthesis of a Bis-benzofuran Derivative (Eur. J. Org. Chem. 37/2019)

    Article • European Journal of Organic Chemistry, September 2019, Wiley

    Professor Sonja Herres-Pawlis

  7. One-Pot Two-Step Chemoenzymatic Cascade for the Synthesis of a Bis-benzofuran Derivative

    Article • European Journal of Organic Chemistry, August 2019, Wiley

    Professor Sonja Herres-Pawlis

  8. NFDI4Chem: Digitalen und kulturellen Wandel in der Chemie gestalten

    Article • Angewandte Chemie, July 2019, Wiley

    Professor Sonja Herres-Pawlis

  9. NFDI4Chem: Shaping a Digital and Cultural Change in Chemistry

    Article • Angewandte Chemie International Edition, July 2019, Wiley

    Professor Sonja Herres-Pawlis

  10. Heterolepic β ‐Ketoiminate Zinc Phenoxide Complexes as Efficient Catalysts for the Ring Opening Polymerization of Lactide

    Article • ChemistryOpen, July 2019, Wiley

    Professor Sonja Herres-Pawlis

  11. Towards New Robust Zn(II) Complexes for the Ring‐Opening Polymerization of Lactide Under Industrially Relevant Conditions

    Article • ChemistryOpen, July 2019, Wiley

    Professor Sonja Herres-Pawlis

  12. Cover Feature: New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts (ChemSusChem 10/2019)

    Article • ChemSusChem, May 2019, Wiley

    Professor Sonja Herres-Pawlis

  13. The MASi repository service — Comprehensive, metadata-driven and multi-community research data management

    Article • Future Generation Computer Systems, May 2019, Elsevier

    Professor Sonja Herres-Pawlis

  14. New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts

    Article • ChemSusChem, March 2019, Wiley

    Professor Sonja Herres-Pawlis

  15. Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces

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

    Professor Sonja Herres-Pawlis

  16. Dual oxidase/oxygenase reactivity and resonance Raman spectra of {Cu3O2} moiety with perfluoro-t-butoxide ligands

    Article • Dalton Transactions, January 2019, Royal Society of Chemistry

    Professor Sonja Herres-Pawlis

  17. Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide

    Article • Dalton Transactions, January 2019, Royal Society of Chemistry

    Professor Sonja Herres-Pawlis

  18. Influence of Functionalized Substituents on the Electron-Transfer Abilities of Copper Guanidinoquinoline Complexes

    Article • European Journal of Inorganic Chemistry, November 2018, Wiley

    Professor Sonja Herres-Pawlis

  19. Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis

    Article • Inorganics, October 2018, MDPI AG

    Professor Sonja Herres-Pawlis

  20. Cover Feature: Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility (Eur. J. Inorg. Chem. /2018)

    Article • European Journal of Inorganic Chemistry, June 2018, Wiley

    Professor Sonja Herres-Pawlis

  21. Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility

    Article • European Journal of Inorganic Chemistry, June 2018, Wiley

    Professor Sonja Herres-Pawlis

  22. Reaction Systems for Bubbly Flows

    Article • European Journal of Inorganic Chemistry, May 2018, Wiley

    Professor Sonja Herres-Pawlis

  23. Imaging of copper oxygenation reactions in a bubble flow

    Article • Magnetic Resonance in Chemistry, May 2018, Wiley

    Professor Sonja Herres-Pawlis

  24. Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide

    Article • Inorganics, November 2017, MDPI AG

    Professor Sonja Herres-Pawlis

  25. Copper Guanidinoquinoline Complexes as Entatic State Models of Electron-Transfer Proteins

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

    Professor Sonja Herres-Pawlis

  26. Highly Active N,O Zinc Guanidine Catalysts for the Ring-Opening Polymerization of Lactide

    Article • ChemSusChem, September 2017, Wiley

    Professor Sonja Herres-Pawlis

  27. Oxygen Activation by Copper Complexes with an Aromatic Bis(guanidine) Ligand

    Article • European Journal of Inorganic Chemistry, July 2017, Wiley

    Professor Sonja Herres-Pawlis

  28. Reactive Bubbly Flows

    Article • Chemical Engineering & Technology, July 2017, Wiley

    Professor Sonja Herres-Pawlis

  29. Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer

    Article • Chemical Engineering & Technology, July 2017, Wiley

    Professor Sonja Herres-Pawlis

  30. Test System for the Investigation of Reactive Taylor Bubbles

    Article • Chemical Engineering & Technology, July 2017, Wiley

    Professor Sonja Herres-Pawlis

  31. A cryostat for low temperature resonance Raman measurements on operando oxygenated bioinorganic model complexes

    Article • Inorganica Chimica Acta, July 2017, Elsevier

    Professor Sonja Herres-Pawlis

  32. Record Broken: A Copper Peroxide Complex with Enhanced Stability and Faster Hydroxylation Catalysis

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

    Professor Sonja Herres-Pawlis

  33. Atmospheric pressure photo-ionization mass spectrometry for the detection of labile end groups in poly(styrene)

    Article • European Polymer Journal, May 2017, Elsevier

    Professor Sonja Herres-Pawlis

  34. On the Way to a Trisanionic {Cu3 O2 } Core for Oxidase Catalysis: Evidence of an Asymmetric Trinuclear Precursor Stabilized by Perfluoropinacolate Ligands

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

    Professor Sonja Herres-Pawlis

  35. [Cu6(NGuaS)6]2+and its oxidized and reduced derivatives: Confining electrons on a torus

    Article • Journal of Computational Chemistry, April 2017, Wiley

    Professor Sonja Herres-Pawlis

  36. Iron(II) and Zinc(II) Complexes with Tetradentate Bis(pyrazolyl)methane Ligands as Catalysts for the Ring-Opening Polymerisation ofrac-Lactide

    Article • European Journal of Inorganic Chemistry, March 2017, Wiley

    Professor Sonja Herres-Pawlis

  37. Copper(I) Complexes with Thiourea Derivatives as Ligands: Revealing Secrets of Their Bonding Scheme

    Article • European Journal of Inorganic Chemistry, March 2017, Wiley

    Professor Sonja Herres-Pawlis

  38. Gathering requirements for advancing simulations in HPC infrastructures via science gateways

    Article • Future Generation Computer Systems, March 2017, Elsevier

    Professor Sonja Herres-Pawlis

  39. Direct Electrochemical Synthesis of an Unusual Complex Salt: Almost Structural Identity - Different Charge

    Article • Zeitschrift für anorganische und allgemeine Chemie, January 2017, Wiley

    Professor Sonja Herres-Pawlis

  40. Relativistic effects at the Cu2O2 core – a density functional theory study

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

    Professor Sonja Herres-Pawlis

  41. Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State

    Article • Inorganic Chemistry, November 2016, American Chemical Society (ACS)

    Professor Sonja Herres-Pawlis

  42. Jet delivery system for Raman scattering on bio-inorganic compounds

    Article • Applied Physics Letters, November 2016, American Institute of Physics

    Professor Sonja Herres-Pawlis

  43. Using Science Gateways for Bridging the Differences between Research Infrastructures

    Article • Journal of Grid Computing, November 2016, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  44. Workflows as method for automated benchmarking

    Article • Journal of Cheminformatics, October 2016, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  45. Insights into Copper-Poly(pyrazolyl)methane-Catalyzed Reactions for Organic Transformations

    Article • Synthesis, October 2016, Thieme Publishing Group

    Professor Sonja Herres-Pawlis

  46. Implications of Guanidine Substitution on Copper Complexes as Entatic-State Models

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

    Professor Sonja Herres-Pawlis

  47. Zinc Chloride Complexes with Aliphatic and Aromatic Guanidine Hybrid Ligands and Their Activity in the Ring-Opening Polymerisation ofd,l-Lactide

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

    Professor Sonja Herres-Pawlis

  48. Homolytic, Heterolytic, Mesolytic - As You Like It: Steering the Cleavage of a HC(sp3)−C(sp3)H Bond in Bis(1H-2,1-benzazaborole) Derivatives

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

    Professor Sonja Herres-Pawlis

  49. Hand in Hand: Experimental and Theoretical Investigations into the Reactions of Copper(I) Mono- and Bis(guanidine) Complexes with Dioxygen

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

    Professor Sonja Herres-Pawlis

  50. Implications of Guanidine Substitution on Copper Complexes as Entatic-State Models

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

    Professor Sonja Herres-Pawlis

  51. A Comprehensive Study of Copper Guanidine Quinoline Complexes: Predicting the Activity of Catalysts in ATRP with DFT

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

    Professor Sonja Herres-Pawlis

  52. Copper(I) Thiolate Heteroadamantane Cage Structures with Relevance to Metalloproteins

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

    Professor Sonja Herres-Pawlis

  53. Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2

    Article • Journal of Computational Chemistry, June 2016, Wiley

    Professor Sonja Herres-Pawlis

  54. Katalysatoren für die Produktion von Biokunststoffen

    Article • Chemie in unserer Zeit, June 2016, Wiley

    Professor Sonja Herres-Pawlis

  55. Addressing Hydrogen Bonding Motifs by Suited Substitution of Thioureas

    Article • Zeitschrift für anorganische und allgemeine Chemie, May 2016, Wiley

    Professor Sonja Herres-Pawlis

  56. Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support

    Article • Journal of Grid Computing, March 2016, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  57. ChemInform Abstract: Bis(pyrazolyl)methane Copper Complexes as Robust and Efficient Catalysts for Sonogashira Couplings.

    Article • ChemInform, March 2016, Wiley

    Professor Sonja Herres-Pawlis

  58. Donor-driven conformational flexibility in a real-life catalytic dicopper(ii) peroxo complex

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

    Professor Sonja Herres-Pawlis

  59. Decay kinetics of sensitive bioinorganic species in a SuperFocus mixer at ambient conditions

    Article • Reaction Chemistry & Engineering, January 2016, Royal Society of Chemistry

    Professor Sonja Herres-Pawlis

  60. Inside Cover: Efficient Biomimetic Hydroxylation Catalysis with a Bis(pyrazolyl)imidazolylmethane Copper Peroxide Complex (Chem. Eur. J. 49/2015)

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

    Professor Sonja Herres-Pawlis

  61. Erratum: Transition Metal Complexes ContainingC2-Symmetric Bis-(imidazolin-2-imine) Ligands Derived from a 1-Alkyl-3-arylimidazolin-2-ylidene

    Article • Zeitschrift für anorganische und allgemeine Chemie, November 2015, Wiley

    Professor Sonja Herres-Pawlis

  62. Bis(pyrazolyl)methane Copper Complexes as Robust and Efficient Catalysts for Sonogashira Couplings

    Article • European Journal of Organic Chemistry, October 2015, Wiley

    Professor Sonja Herres-Pawlis

  63. Formation of Hybrid Guanidine-Stabilized Bis(μ-oxo)dicopper Cores in Solution: Electronic and Steric Perturbations

    Article • European Journal of Inorganic Chemistry, October 2015, Wiley

    Professor Sonja Herres-Pawlis

  64. Efficient Biomimetic Hydroxylation Catalysis with a Bis(pyrazolyl)imidazolylmethane Copper Peroxide Complex

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

    Professor Sonja Herres-Pawlis

  65. Transition Metal Complexes ContainingC2-Symmetric Bis(imidazolin-2-imine) Ligands Derived from a 1-Alkyl-3-arylimidazolin-2-ylidene

    Article • Zeitschrift für anorganische und allgemeine Chemie, September 2015, Wiley

    Professor Sonja Herres-Pawlis

  66. Zinc Complexes with Guanidine-Pyridine Hybrid Ligands: Anion Effect and Catalytic Activity

    Article • Zeitschrift für anorganische und allgemeine Chemie, August 2015, Wiley

    Professor Sonja Herres-Pawlis

  67. Low Temperature Syntheses and Reactivity of Cu 2 O 2 Active-Site Models

    Article • Accounts of Chemical Research, August 2015, American Chemical Society (ACS)

    Professor Sonja Herres-Pawlis

  68. Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery

    Article • August 2015, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Sonja Herres-Pawlis

  69. The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†

    Article • Journal of Computational Chemistry, July 2015, Wiley

    Professor Sonja Herres-Pawlis

  70. Science gateways - leveraging modeling and simulations in HPC infrastructures via increased usability

    Article • July 2015, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Sonja Herres-Pawlis

  71. Challenges and Modifications for Creating a MoSGrid Science Gateway for US and European Infrastructures

    Article • June 2015, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Sonja Herres-Pawlis

  72. Multi-layer Meta-metaworkflows for the Evaluation of Solvent and Dispersion Effects in Transition Metal Systems Using the MoSGrid Science Gateways

    Article • June 2015, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Sonja Herres-Pawlis

  73. Less Is More: Three-Coordinate C,N-Chelated Distannynes and Digermynes

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

    Professor Sonja Herres-Pawlis

  74. Antimony(iii) and bismuth(iii) amides containing pendant N-donor groups – a combined experimental and theoretical study

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Professor Sonja Herres-Pawlis

  75. Guanidine Metal Complexes for Bioinorganic Chemistry and Polymerisation Catalysis

    Article • January 2015, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  76. Biomimetic Hydroxylation Catalysis Through Self-Assembly of a Bis(pyrazolyl)methane Copper-Peroxo Complex

    Article • European Journal of Inorganic Chemistry, December 2014, Wiley

    Professor Sonja Herres-Pawlis

  77. Corrigendum: Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (Part II)

    Article • Journal of Computational Chemistry, December 2014, Wiley

    Professor Sonja Herres-Pawlis

  78. N-Donor Competition in Iron Bis(chelate) Bis(pyrazolyl)pyridinylmethane Complexes

    Article • Zeitschrift für Naturforschung B, December 2014, De Gruyter

    Professor Sonja Herres-Pawlis

  79. Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)

    Article • Journal of Computational Chemistry, September 2014, Wiley

    Professor Sonja Herres-Pawlis

  80. Syntheses and Molecular Structures of [RSn{W(CO) 3 Cp} 2 ][W(CO) 3 Cp], [RSn{W(CO) 3 Cp}Cl 2 ], and [RSn{W(CO) 3 Cp}Cr(CO) 5 ] (R = [4- t -Bu-2,6-{P(O)(OR′) 2 } 2 C 6 H 2 ], R′ = Et, i -Pr). Autoionization Induced by Intramolecular P═O→Sn Coordination

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

    Professor Sonja Herres-Pawlis

  81. Insights into the influence of dispersion correction in the theoretical treatment of guanidine-quinoline copper(I) complexes

    Article • Journal of Computational Chemistry, August 2014, Wiley

    Professor Sonja Herres-Pawlis

  82. The MoSGrid Science Gateway – A Complete Solution for Molecular Simulations

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

    Professor Sonja Herres-Pawlis

  83. Expansion of Quantum Chemical Metadata for Workflows in the MoSGrid Science Gateway

    Article • June 2014, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Sonja Herres-Pawlis

  84. Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway

    Article • June 2014, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Sonja Herres-Pawlis

  85. Quantum chemical meta-workflows in MoSGrid

    Article • Concurrency and Computation Practice and Experience, May 2014, Wiley

    Professor Sonja Herres-Pawlis

  86. Neue aromatische Bisguanidin-Kupfer-Komplexe und ihre Anwendung in der ATRP / New Aromatic Bisguanidine Copper Complexes and Their Application in ATRP

    Article • Zeitschrift für Naturforschung B, May 2014, De Gruyter

    Professor Sonja Herres-Pawlis

  87. New Guanidine-Pyridine Copper Complexes and Their Application in ATRP

    Article • Polymers, April 2014, MDPI AG

    Professor Sonja Herres-Pawlis

  88. Insights into Different Donor Abilities in Bis(pyrazolyl)pyridinylmethane Transition Metal Complexes

    Article • European Journal of Inorganic Chemistry, March 2014, Wiley

    Professor Sonja Herres-Pawlis

  89. Hiking on the potential energy surface of a functional tyrosinase model – implications of singlet, broken-symmetry and triplet description

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

    Professor Sonja Herres-Pawlis

  90. Molecular Simulation Grid (MosGrid): A Science Gateway Tailored to the Molecular Simulation Community

    Article • January 2014, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  91. Performance Studies on Distributed Virtual Screening

    Article • BioMed Research International, January 2014, Hindawi Publishing Corporation

    Professor Sonja Herres-Pawlis

  92. ChemInform Abstract: (Guanidine)copper Complexes: Structural Variety and Application in Bioinorganic Chemistry and Catalysis

    Article • ChemInform, December 2013, Wiley

    Professor Sonja Herres-Pawlis

  93. Extending the Family of N-Heterocyclic Heavy Carbene Analogues: Synthesis and Crystal and Molecular Structures of MeN[CH2C(O)N(R)]2Sn (R = Me2NCH2CH2, PhCH2, Me3CCH2) (Eur. J. Inorg. Chem. 34/2013)

    Article • European Journal of Inorganic Chemistry, November 2013, Wiley

    Professor Sonja Herres-Pawlis

  94. Extending the Family of N-Heterocyclic Heavy Carbene Analogues: Synthesis and Crystal and Molecular Structures of MeN[CH2C(O)N(R)]2Sn (R = Me2NCH2CH2, PhCH2, Me3CCH2)

    Article • European Journal of Inorganic Chemistry, November 2013, Wiley

    Professor Sonja Herres-Pawlis

  95. Den entatischen Zustand im Griff - ein Duo von Kupfer-Komplexen

    Article • Angewandte Chemie, November 2013, Wiley

    Professor Sonja Herres-Pawlis

  96. Catching an Entatic State-A Pair of Copper Complexes

    Article • Angewandte Chemie International Edition, November 2013, Wiley

    Professor Sonja Herres-Pawlis

  97. Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†

    Article • Journal of Computational Chemistry, October 2013, Wiley

    Professor Sonja Herres-Pawlis

  98. Standards-based metadata management for molecular simulations

    Article • Concurrency and Computation Practice and Experience, September 2013, Wiley

    Professor Sonja Herres-Pawlis

  99. User-friendly metaworkflows in quantum chemistry

    Article • September 2013, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Sonja Herres-Pawlis

  100. Extending the Family of N-Heterocyclic Heavy Carbene Analogues: Synthesis and Crystal and Molecular Structures of MeN[CH2C(O)N(R)]2Sn (R = Me2NCH2CH2, PhCH2, Me3CCH2)

    Article • European Journal of Inorganic Chemistry, July 2013, Wiley

    Professor Sonja Herres-Pawlis

  101. A Conformationally Flexible Dinuclear PtIIComplex with Differential Behavior of its Two States toward Quadruplex DNA

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

    Professor Sonja Herres-Pawlis

  102. Novel Tin(IV) Complexes with the Hybrid Guanidine Ligand DMEGqu

    Article • Zeitschrift für Naturforschung B, June 2013, De Gruyter

    Professor Sonja Herres-Pawlis

  103. Catalytic Phenol Hydroxylation with Dioxygen: Extension of the Tyrosinase Mechanism beyond the Protein Matrix

    Article • Angewandte Chemie International Edition, April 2013, Wiley

    Professor Sonja Herres-Pawlis

  104. Back Cover: Catalytic Phenol Hydroxylation with Dioxygen: Extension of the Tyrosinase Mechanism beyond the Protein Matrix (Angew. Chem. Int. Ed. 20/2013)

    Article • Angewandte Chemie International Edition, April 2013, Wiley

    Professor Sonja Herres-Pawlis

  105. Katalytische Phenolhydroxylierung mit Sauerstoff: Substratvielfalt jenseits der Proteinmatrix von Tyrosinase

    Article • Angewandte Chemie, April 2013, Wiley

    Professor Sonja Herres-Pawlis

  106. Rücktitelbild: Katalytische Phenolhydroxylierung mit Sauerstoff: Substratvielfalt jenseits der Proteinmatrix von Tyrosinase (Angew. Chem. 20/2013)

    Article • Angewandte Chemie, April 2013, Wiley

    Professor Sonja Herres-Pawlis

  107. Dissection of Different Donor Abilities Within Bis(pyrazolyl)­pyridinylmethane Transition Metal Complexes

    Article • Zeitschrift für anorganische und allgemeine Chemie, April 2013, Wiley

    Professor Sonja Herres-Pawlis

  108. Insights into the Intramolecular Donor Stabilisation of Organostannylene Palladium and Platinum Complexes: Syntheses, Structures and DFT Calculations

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

    Professor Sonja Herres-Pawlis

  109. Synergistic Empirical and Theoretical Study on the Stereoselective Mechanism for the Aluminum Salalen Complex Mediated Polymerization ofrac-Lactide

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

    Professor Sonja Herres-Pawlis

  110. Chemiker im Grid

    Article • Nachrichten aus der Chemie, February 2013, Wiley

    Professor Sonja Herres-Pawlis

  111. Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory

    Article • Journal of Computational Chemistry, January 2013, Wiley

    Professor Sonja Herres-Pawlis

  112. Simple is best: Diamine zinc complexes as unexpected catalysts in lactide polymerisation

    Article • Polyhedron, January 2013, Elsevier

    Professor Sonja Herres-Pawlis

  113. A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics

    Article • Journal of Grid Computing, November 2012, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  114. Oxalic Amidines - Protonation Studies and Activity in Lactide Polymerisation

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

    Professor Sonja Herres-Pawlis

  115. Synthesis and Characterization of Iron(II) Thiocyanate Complexes with Derivatives of the Tris(pyridine-2-ylmethyl)amine (tmpa) Ligand

    Article • Zeitschrift für anorganische und allgemeine Chemie, August 2012, Wiley

    Dr Sylvestre Bonnet, Professor Sonja Herres-Pawlis

  116. Tris-phenyl substituted tris(pyrazolyl)methane: Victim of a novel rearrangement in a cobalt(II) complex

    Article • Inorganic Chemistry Communications, August 2012, Elsevier

    Professor Sonja Herres-Pawlis

  117. [Me 2 ( i- PrO)SiCH 2 ] 2 SnBr 2 : Evidence for Intramolecular Si–O Bond Activation

    Article • Organometallics, July 2012, American Chemical Society (ACS)

    Professor Sonja Herres-Pawlis

  118. Palladium(II)-Catalyzed Cycloisomerization of Substituted 1,5-Hexadienes: A Combined Experimental and Computational Study on an Open and an Interrupted Hydropalladation/Carbopalladation/β-Hydride Elimination (HCHe) Catalytic Cycle

    Article • The Journal of Organic Chemistry, June 2012, American Chemical Society (ACS)

    Professor Sonja Herres-Pawlis

  119. Stabilization of an Intramolecularly Coordinated Stannylidenium Cation

    Article • Zeitschrift für anorganische und allgemeine Chemie, May 2012, Wiley

    Professor Sonja Herres-Pawlis

  120. Tin(II) and Tin(IV) Compounds with Scorpion-Shaped Ligands - Intramolecular N→Sn vs. Intermolecular O→Sn Coordination

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

    Professor Sonja Herres-Pawlis

  121. Structural Aspects of Copper-Mediated Atom Transfer Radical Polymerization with a Novel Tetradentate Bisguanidine Ligand

    Article • Zeitschrift für anorganische und allgemeine Chemie, May 2012, Wiley

    Professor Sonja Herres-Pawlis

  122. MoSGrid: efficient data management and a standardized data exchange format for molecular simulations in a grid environment

    Article • Journal of Cheminformatics, May 2012, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  123. Novel Guanidine-Quinoline Hybrid Ligands and the Application of their Zinc Complexes in Lactide Polymerisation

    Article • Zeitschrift für Naturforschung B, April 2012, De Gruyter

    Professor Sonja Herres-Pawlis

  124. ChemInform Abstract: Lactide Polymerization with Complexes of Neutral N-Donors - New Strategies for Robust Catalysts

    Article • ChemInform, March 2012, Wiley

    Professor Sonja Herres-Pawlis

  125. Syntheses and characterisation of tris(3-(pyridin-2-yl)-1H-pyrazol-1-yl)methane and its bis(µ-hydroxo) dicobalt(II) complex

    Article • ARKIVOC, March 2012, ARKAT USA, Inc.

    Professor Sonja Herres-Pawlis

  126. Intramolekular koordinierte Organozinntelluride: stabil oder labil?

    Article • Angewandte Chemie, February 2012, Wiley

    Professor Sonja Herres-Pawlis

  127. Intramolecularly Coordinated Organotin Tellurides: Stable or Unstable?

    Article • Angewandte Chemie International Edition, February 2012, Wiley

    Professor Sonja Herres-Pawlis

  128. Lactide Polymerisation with Complexes of Neutral N-Donors - New Strategies for Robust Catalysts

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

    Professor Sonja Herres-Pawlis

  129. Novel Guanidine-Quinoline Hybrid Ligands and the Application of their Zinc Complexes in Lactide Polymerisation

    Article • Zeitschrift für Naturforschung B, January 2012, De Gruyter

    Professor Sonja Herres-Pawlis

  130. From Pseudo-octahedral to Pseudo-trigonal Bipyramidal Configuration: Syntheses and Molecular Structures of 4- t -Bu-2,6-[(EtO) 2 P(O)] 2 C 6 H 2 BiCl 2 and [1( Bi ),3( P )-Bi(Cl)OP(O)(OEt)-5- t -Bu-7-P(O)(OEt) 2 ]C 6 H 2

    Article • Organometallics, October 2011, American Chemical Society (ACS)

    Professor Sonja Herres-Pawlis

  131. Zinc Complexes with Guanidine-Pyridine Hybrid Ligands - Guanidine Effect and Catalytic Activity

    Article • European Journal of Inorganic Chemistry, August 2011, Wiley

    Professor Sonja Herres-Pawlis

  132. Bidentate guanidine ligands with ethylene spacer in copper-dioxygen chemistry: Structural characterization of bis(μ-hydroxo) dicopper complexes

    Article • Inorganica Chimica Acta, August 2011, Elsevier

    Professor Sonja Herres-Pawlis

  133. Intramolecularly Coordinated [{2,6-(Me2NCH2)2C6H3}SnII]+: A Strong σ Donor for PtII

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

    Professor Sonja Herres-Pawlis

  134. Dissecting the role of guanidine copper complexes in atom transfer radical polymerization by density functional theory

    Article • Journal of Cheminformatics, April 2011, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  135. Molecular simulation grid

    Article • Journal of Cheminformatics, April 2011, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  136. Studies on the mechanism of the lactide polymerization with highly active zinc guanidine catalysts

    Article • Journal of Cheminformatics, April 2011, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  137. MoSGrid – a molecular simulation grid as a new tool in computational chemistry, biology and material science

    Article • Journal of Cheminformatics, April 2011, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  138. Synthesis and Application of New Guanidine Copper Complexes in Atom Transfer Radical Polymerisation

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

    Professor Sonja Herres-Pawlis

  139. Mechanism of the Living Lactide Polymerization Mediated by Robust Zinc Guanidine Complexes

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

    Professor Sonja Herres-Pawlis

  140. (Guanidine)copper complexes: structural variety and application in bioinorganic chemistry and catalysis

    Article • Reviews in Inorganic Chemistry, January 2011, De Gruyter

    Professor Sonja Herres-Pawlis

  141. Zinc Complexes with Mono- and Polydentate Behaving Guanidine Ligands and Their Application in Lactide Polymerization

    Article • January 2011, American Chemical Society (ACS)

    Professor Sonja Herres-Pawlis

  142. Heteroleptic Organostannylenes and an Organoplumbylene Bearing Phosphorus-Containing Pincer-Type Ligands - Structural Variations and Insights into the Configurational Stability 

    Article • Zeitschrift für anorganische und allgemeine Chemie, December 2010, Wiley

    Dr Marc H Prosenc, Professor Sonja Herres-Pawlis

  143. [{2,6-(Me2NCH2)2C6H3}Sn(μ-OH)W(CO)5]2: A Transition-Metal-Coordinated Organotin(II) Hydroxide

    Article • European Journal of Inorganic Chemistry, December 2010, Wiley

    Professor Sonja Herres-Pawlis

  144. Synthesis and Characterisation of Novel (Guanidine)manganese Complexes and Their Application in the Epoxidation of 1-Octene

    Article • European Journal of Inorganic Chemistry, December 2010, Wiley

    Professor Sonja Herres-Pawlis

  145. Tracking the Structure-Reactivity Relationship of Zinc Guanidine-Pyridine Hybrid Complexes Initiating Lactide Polymerisation

    Article • Macromolecular Symposia, October 2010, Wiley

    Professor Sonja Herres-Pawlis

  146. Oxygen sensing by fluorescence quenching of [Cu(btmgp)I]

    Article • Journal of Luminescence, October 2010, Elsevier

    Professor Sonja Herres-Pawlis

  147. Systematische Studie zu den Koordinationseigenschaften des Guanidin-Liganden Bis(tetramethylguanidino)propan mit den Metallen Mangan, Cobalt, Nickel, Zink, Cadmium, Quecksilber und Silber. A Systematic Study on the Coordination Properties of the Guanidine

    Article • Zeitschrift für anorganische und allgemeine Chemie, September 2010, Wiley

    Professor Sonja Herres-Pawlis

  148. Neue Bisguanidin-Kupfer-Komplexe und ihre Anwendung in der ATRP/ New Bisguanidine-Copper Complexes and their Application in ATRP

    Article • Zeitschrift für Naturforschung B, July 2010, De Gruyter

    Professor Sonja Herres-Pawlis

  149. Novel Synthetic Strategy towards the Efficient Synthesis of Substituted Bis(pyrazolyl)(2-pyridyl)methane Ligands

    Article • European Journal of Organic Chemistry, June 2010, Wiley

    Professor Sonja Herres-Pawlis

  150. Mechanistic studies on the ring-opening polymerisation of D,L-lactide with zinc guanidine complexes

    Article • Journal of Cheminformatics, May 2010, Springer Science + Business Media

    Professor Sonja Herres-Pawlis

  151. Unexpected activity of novel 9-oxabispidine zinc complexes in lactide polymerization

    Article • Inorganic Chemistry Communications, March 2010, Elsevier

    Professor Sonja Herres-Pawlis

  152. New insights into the lactide polymerisation with neutral N-donor stabilised zinc complexes: Comparison of imidazolin-2-imine vs. guanidine complexes

    Article • Journal of Molecular Catalysis A Chemical, February 2010, Elsevier

    Professor Sonja Herres-Pawlis

  153. New Challenge for Classics: Neutral Zinc Complexes Stabilised by 2,2’-Bipyridine and 1,10-Phenanthroline and Their Application in the Ring-Opening Polymerisation of Lactide

    Article • Sustainability, December 2009, MDPI AG

    Professor Sonja Herres-Pawlis

  154. Characterization of the optically excited state of a bis (μ-oxo)-dicopper(III) species mimicking the hemocyanin and tyrosinase active sites

    Article • Journal of Physics Conference Series, November 2009, Institute of Physics Publishing

    Professor Sonja Herres-Pawlis

  155. Stabilisation of a Highly Reactive Bis(μ-oxo)dicopper(III) Species at Room Temperature by Electronic and Steric Constraint of an Unconventional Nitrogen Donor Ligand

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

    Professor Sonja Herres-Pawlis

  156. Reactivity of 2,2′-Bis(2N-(1,1′,3,3′-tetramethyl-guanidino))diphenylene-amine with CuI and [Cu(MeCN)4][PF6]: Benzimidazole Formation vs. Cu Oxidation

    Article • Zeitschrift für anorganische und allgemeine Chemie, July 2009, Wiley

    Professor Sonja Herres-Pawlis

  157. Synthesis and properties of guanidine-pyridine hybridligands and structural characterisation of their mono- and bis(chelated) cobalt complexes

    Article • Inorganica Chimica Acta, March 2009, Elsevier

    Professor Sonja Herres-Pawlis

  158. Lactide Polymerisation with Air-Stable and Highly Active Zinc Complexes with Guanidine-Pyridine Hybrid Ligands

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

    Professor Sonja Herres-Pawlis

  159. Phenolate Hydroxylation in a Bis(μ-oxo)dicopper(III) Complex: Lessons from the Guanidine/Amine Series

    Article • Journal of the American Chemical Society, January 2009, American Chemical Society (ACS)

    Professor Sonja Herres-Pawlis

  160. Außergewöhnliche Donoren und synthetische Vielfalt: Guanidine

    Article • Nachrichten aus der Chemie, January 2009, Wiley

    Professor Sonja Herres-Pawlis

  161. Synthese und Charakterisierung von Cobalt(II)- und Kupfer(I)-Komplexen mit Guanidin-Pyridin-Hybridliganden

    Article • Zeitschrift für anorganische und allgemeine Chemie, January 2009, Wiley

    Professor Sonja Herres-Pawlis

  162. Systematische Studie zu den Koordinationseigenschaften des Guanidin-Liganden N1,N2-Bis(1,3-dimethylimidazolidin-2-yliden)-ethan-1,2-diamin mit den Metallen Mn, Co, Ni, Ag und Cu

    Article • Zeitschrift für anorganische und allgemeine Chemie, November 2008, Wiley

    Professor Sonja Herres-Pawlis

  163. Rare examples of base pairingviaa protonated pyridine N atom in two salts ofN2,N6-bis(1,3-dimethylimidazolin-2-ylidene)pyridine-2,6-diamine

    Article • Acta Crystallographica Section C Crystal Structure Communications, April 2008, International Union of Crystallography

    Professor Sonja Herres-Pawlis

  164. Synthese und Strukturen der ersten mehrkernigen Mangan-Guanidin-Komplexe und der ersten Mangan-Komplexe mit mono-protonierten Bis-Guanidinliganden

    Article • Zeitschrift für anorganische und allgemeine Chemie, April 2008, Wiley

    Professor Sonja Herres-Pawlis

  165. Syntheses and X-ray Structure Analyses of the First Bis(chelated) Copper and Iron Bisguanidine Complexes

    Article • Zeitschrift für anorganische und allgemeine Chemie, February 2008, Wiley

    Professor Sonja Herres-Pawlis

  166. [Bis(guanidine)]zinc Complexes and Their Application in Lactide Polymerisation

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

    Professor Sonja Herres-Pawlis

  167. N,N,N′,N′-Tetraethylchloroformamidinium chloride, the first acyclic diaminocarbene–Cl2 adduct

    Article • Inorganic Chemistry Communications, October 2006, Elsevier

    Professor Sonja Herres-Pawlis

  168. Di-μ-fluoro-bis[(acetonitrile){N,N′-bis[(dimethylamino)(morpholino)methylene]propane-1,3-diamine}copper(II)] bis(hexafluorophosphate): the first di-μ-fluoro-bridged dicopper bisguanidine compound

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

    Professor Sonja Herres-Pawlis

  169. The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes

    Article • Acta Crystallographica Section C Crystal Structure Communications, May 2006, International Union of Crystallography

    Professor Sonja Herres-Pawlis

  170. A Library of Peralkylated Bis-guanidine Ligands for Use in Biomimetic Coordination Chemistry

    Article • European Journal of Organic Chemistry, November 2005, Wiley

    Professor Sonja Herres-Pawlis

  171. Tuning of Copper(I)-Dioxygen Reactivity by Bis(guanidine) Ligands

    Article • European Journal of Inorganic Chemistry, October 2005, Wiley

    Professor Sonja Herres-Pawlis

  172. Hydroxylation of a methyl group: synthesis of [Cu2(btmmO)2I]+ and of [Cu2(btmmO)2]2+ containing the novel ligand {bis(trimethylmethoxy)guanidino}propane (btmmO) by copper-assisted oxygen activation

    Article • Inorganica Chimica Acta, March 2005, Elsevier

    Professor Sonja Herres-Pawlis

  173. catena-Poly[[μ-cyano-[1,3-bis(tetramethylguanidino)propane]dicopper(I)]-μ-cyano]

    Article • Acta Crystallographica Section E Structure Reports Online, December 2004, International Union of Crystallography

    Professor Sonja Herres-Pawlis

  174. The first di-μ-hydroxo-bridged binuclear copper complex containing a bis-guanidine ligand

    Article • Acta Crystallographica Section C Crystal Structure Communications, November 2004, International Union of Crystallography

    Professor Sonja Herres-Pawlis

  175. N,N′-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine andN,N′-bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine

    Article • Acta Crystallographica Section C Crystal Structure Communications, April 2004, International Union of Crystallography

    Professor Sonja Herres-Pawlis

  176. Polystyrene Resins Incorporating BINOL Units: New Materials For Asymmetric Catalysis

    Article • European Journal of Organic Chemistry, January 2003, Wiley

    Professor Sonja Herres-Pawlis