All Stories

  1. A Noncovalent Binding Strategy to Capture Noble Gases, Hydrogen and Nitrogen

    Article • Journal of Computational Chemistry, January 2018, Wiley

    Dr Cherumuttathu H Suresh

  2. Predicting reduction potentials of 1,3,6-triphenyl fulvenes using molecular electrostatic potential analysis of substituent effects

    Article • Journal of Computational Chemistry, January 2018, Wiley

    Dr Cherumuttathu H Suresh

  3. Sumanene: an efficient π-bowl for dihydrogen storage

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

    Dr Cherumuttathu H Suresh

  4. Assessment of the electron donor properties of substituted phenanthroline ligands in molybdenum carbonyl complexes using molecular electrostatic potentials

    Article • New Journal of Chemistry, January 2018, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  5. An Unsymmetrical Squaraine-Dye-Based Chemical Platform for Multiple Analyte Recognition

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

    Dr Cherumuttathu H Suresh

  6. meso -Aryl [20]π Homoporphyrin: The Simplest Expanded Porphyrin with the Smallest Möbius Topology

    Article • Angewandte Chemie International Edition, November 2017, Wiley

    Dr Cherumuttathu H Suresh

  7. meso -Aryl [20]π Homoporphyrin: The Simplest Expanded Porphyrin with the Smallest Möbius Topology

    Article • Angewandte Chemie International Edition, November 2017, Wiley

    Dr Cherumuttathu H Suresh

  8. Electrostatics for probing lone pairs and their interactions

    Article • Journal of Computational Chemistry, November 2017, Wiley

    Dr Cherumuttathu H Suresh

  9. Mechanistic studies on acetylene cyclotrimerization catalyzed by Grubbs first and second generation catalysts

    Article • Molecular Catalysis, November 2017, Elsevier

    Dr Cherumuttathu H Suresh

  10. A Supramolecular Nanocomposite as a Near-Infrared-Transmitting Optical Filter for Security and Forensic Applications

    Article • Advanced Materials, October 2017, Wiley

    Dr Cherumuttathu H Suresh

  11. Dihydrogen Binding Affinity of Polyatomic Anions: A DFT Study

    Article • ACS Omega, August 2017, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  12. A DFT study on 1,4-dihydro-1,4-azaborinine annulated linear polyacenes: Absorption spectra, singlet-triplet energy gap, aromaticity, and HOMO-LUMO energy modulation

    Article • Journal of Computational Chemistry, August 2017, Wiley

    Dr Cherumuttathu H Suresh

  13. Interpreting Oxidative Addition of Ph–X (X = CH3, F, Cl, and Br) to Monoligated Pd(0) Catalysts Using Molecular Electrostatic Potential

    Article • ACS Omega, August 2017, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  14. Metal-Free Multiple Carbon–Carbon and Carbon–Hydrogen Bond Activations via Charge-Switching Mechanism in Unstrained Diindolylmethanes

    Article • Organic Letters, August 2017, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  15. Lower Rim-Modified Calix[4]arene–Bentonite Hybrid System as a Green, Reversible, and Selective Colorimetric Sensor for Hg2+ Recognition

    Article • ACS Sustainable Chemistry & Engineering, June 2017, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  16. Theoretical evidence for bond stretch isomerism in Grubbs olefin metathesis

    Article • Journal of Computational Chemistry, April 2017, Wiley

    Dr Cherumuttathu H Suresh

  17. Quantification of Thermodynamic Hydridicity of Hydride Complexes of Mn, Re, Mo, and W Using the Molecular Electrostatic Potential

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

    Dr Cherumuttathu H Suresh

  18. Ammonia Borane Clusters: Energetics of Dihydrogen Bonding, Cooperativity, and the Role of Electrostatics

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

    Dr Cherumuttathu H Suresh

  19. Massive dihydrogen uptake by anionic carbon chains

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

    Dr Cherumuttathu H Suresh

  20. Molecular electrostatic potential analysis of non-covalent complexes

    Article • Journal of Chemical Sciences, September 2016, Springer Science + Business Media

    Dr Cherumuttathu H Suresh

  21. [40]π Fused and Nonfused Core-Modified Nonaphyrins: Syntheses and Structural Diversity

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

    Dr Cherumuttathu H Suresh

  22. Correlation and Prediction of Redox Potentials of Hydrogen Evolution Mononuclear Cobalt Catalysts via Molecular Electrostatic Potential: A DFT Study

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

    Dr Cherumuttathu H Suresh

  23. [32]π Fused Core-Modified Heptaphyrin with Möbius Aromaticity

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

    Dr Cherumuttathu H Suresh

  24. Planar tetracoordinate carbon in tungstenacyclobutadiene from alkyne metathesis and expanded structures

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  25. Carbon rings: a DFT study on geometry, aromaticity, intermolecular carbon–carbon interactions and stability

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  26. The remarkable ability of anions to bind dihydrogen

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

    Dr Cherumuttathu H Suresh

  27. Quantification and classification of substituent effects in organic chemistry: a theoretical molecular electrostatic potential study

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

    Dr Cherumuttathu H Suresh

  28. A DFT study on dihydropyrazine annulated linear polyacenes: aromaticity, stability and HOMO–LUMO energy modulation

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

    Dr Cherumuttathu H Suresh

  29. Pincer Ligand Modifications To Tune the Activation Barrier for H2 Elimination in Water Splitting Milstein Catalyst

    Article • Inorganic Chemistry, November 2015, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  30. Stackabilization: self-assembling bispidinophanes

    Article • Tetrahedron, October 2015, Elsevier

    Dr Cherumuttathu H Suresh

  31. A 6,11,16-Triarylbiphenylcorrole with an adj -CCNN Core: Stabilization of an Organocopper(III) Complex

    Article • Angewandte Chemie International Edition, July 2015, Wiley

    Dr Cherumuttathu H Suresh

  32. A 6,11,16-Triarylbiphenylcorrole with an adj -CCNN Core: Stabilization of an Organocopper(III) Complex

    Article • Angewandte Chemie International Edition, July 2015, Wiley

    Dr Cherumuttathu H Suresh

  33. Aromatization Energy and Strain Energy of Buckminsterfullerene from Homodesmotic Reactions

    Article • The Journal of Physical Chemistry A, June 2015, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  34. A supramolecular approach to metal ion sensing: cystine-based designer systems for Cu2+, Hg2+, Cd2+ and Pb2+ sensing

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor Haridas V, Dr Cherumuttathu H Suresh

  35. Intermolecular carbon–carbon, nitrogen–nitrogen and oxygen–oxygen non-covalent bonding in dipolar molecules

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  36. Strategies for optimizing the performance of carbazole thiophene appended unsymmetrical squaraine dyes for dye-sensitized solar cells

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  37. Computational prediction of cyclometalated IrIII, RhIII and CoIII amido complexes to capture up to three CO2 molecules

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

    Dr Cherumuttathu H Suresh

  38. Hypercoordinate β-carbon in Grubbs and Schrock olefin metathesis metallacycles

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

    Dr Cherumuttathu H Suresh

  39. Non-covalent intermolecular carbon–carbon interactions in polyynes

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  40. Metal- and Ligand-Assisted CO2 Insertion into Ru–C, Ru–N, and Ru–O Bonds of Ruthenium(II) Phosphine Complexes: A Density Functional Theory Study

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

    Dr Cherumuttathu H Suresh

  41. Nickel(II) Complexes of Pentadentate N5 Ligands as Catalysts for Alkane Hydroxylation by Usingm-CPBA as Oxidant: A Combined Experimental and Computational Study

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

    Dr Cherumuttathu H Suresh

  42. Anion Receptors Based on Highly Fluorinated Aromatic Scaffolds

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

    Dr Cherumuttathu H Suresh

  43. Accurate binding energies of hydrogen, halogen, and dihydrogen bonded complexes and cation enhanced binding strengths

    Article • International Journal of Quantum Chemistry, April 2014, Wiley

    Dr Cherumuttathu H Suresh

  44. Cooperativity and cluster growth patterns in acetonitrile: A DFT study

    Article • Journal of Computational Chemistry, March 2014, Wiley

    Dr Cherumuttathu H Suresh

  45. A Molecular Electrostatic Potential Analysis of Hydrogen, Halogen, and Dihydrogen Bonds

    Article • The Journal of Physical Chemistry A, February 2014, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  46. Lone Pairs: An Electrostatic Viewpoint

    Article • The Journal of Physical Chemistry A, January 2014, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  47. Designing metal hydride complexes for water splitting reactions: a molecular electrostatic potential approach

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  48. Fused core-modified planar antiaromatic 32π heptaphyrins: unusual synthesis and structural diversity

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

    Dr Cherumuttathu H Suresh

  49. Cysteine-based fluorescence “turn-on” sensors for Cu2+ and Ag+

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  50. Role of base assisted proton transfer in N-heterocyclic carbene-catalyzed intermolecular Stetter reaction

    Article • Tetrahedron Letters, December 2013, Elsevier

    Dr Cherumuttathu H Suresh

  51. Conformational Change from a Twisted Figure-Eight to an Open-Extended Structure in Doubly Fused 36π Core-Modified Octaphyrins Triggered by Protonation: Implication on Photodynamics and Aromaticity

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

    Dr Cherumuttathu H Suresh

  52. Resonance Enhancement via Imidazole Substitution Predicts New Cation Receptors

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

    Dr Cherumuttathu H Suresh

  53. Autotandem Aromatization–Dearomatization Pathways for PNP-RuII-Catalyzed Formation of Imine and Hydrogen from Alcohol and Amine

    Article • Organometallics, May 2013, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  54. Trans and Cis Influences in Hypervalent Iodine(III) Complexes: A DFT Study

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

    Dr Cherumuttathu H Suresh

  55. Chain Folding Controlled by an Isomeric Repeat Unit: Helix Formation versus Random Aggregation in Acetylene-Bridged Carbazole-Bipyridine Co-Oligomers

    Article • Chemistry - An Asian Journal, May 2013, Wiley

    Dr Cherumuttathu H Suresh

  56. Dimer radical cation of 4-thiouracil: a pulse radiolysis and theoretical study

    Article • Journal of Physical Organic Chemistry, April 2013, Wiley

    Dr Cherumuttathu H Suresh

  57. DFT Prediction of Multitopic N-Heterocyclic Carbenes Using Clar’s Aromatic Sextet Theory

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

    Dr Cherumuttathu H Suresh

  58. Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small noncovalent dimers? A benchmark study using Gaussian09

    Article • Journal of Computational Chemistry, March 2013, Wiley

    Dr Cherumuttathu H Suresh

  59. Highly selective and sensitive colourimetric detection of Hg2+ ions by unsymmetrical squaraine dyes

    Article • Dyes and Pigments, March 2013, Elsevier

    Dr Cherumuttathu H Suresh

  60. 1,3-Metal–Carbon Bonding Predicts Rich Chemistry at the Edges of Aromatic Hydrocarbons

    Article • Organometallics, January 2013, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  61. Molecular electrostatics for probing lone pair–π interactions

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

    Shridhar Gadre, Dr Cherumuttathu H Suresh

  62. 1,3-Metal–Carbon Bonding and Alkyne Metathesis: DFT Investigations on Model Complexes of Group 4, 5, and 6 Transition Metals

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

    Dr Cherumuttathu H Suresh

  63. 1,3-Phenyl linked urea-based receptors for anions and the facile cyclization to imidazolidinedione

    Article • Tetrahedron Letters, October 2012, Elsevier

    Dr Cherumuttathu H Suresh

  64. Accurate Prediction of Cation−π Interaction Energy Using Substituent Effects

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

    Dr Cherumuttathu H Suresh

  65. ChemInform Abstract: Novel Semisquaraine Regioisomers: Isolation, Divergent Chemical Reactivity and Photophysical Properties.

    Article • ChemInform, March 2012, Wiley

    Dr Cherumuttathu H Suresh

  66. DPPH Radical Scavenging Activity of Tricin and Its Conjugates Isolated from “Njavara” Rice Bran: A Density Functional Theory Study

    Article • Journal of Agricultural and Food Chemistry, March 2012, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  67. Theoretical study of the addition and abstraction reactions of hydroxyl radical with uracil

    Article • Radiation Physics and Chemistry, March 2012, Elsevier

    Dr Cherumuttathu H Suresh

  68. Assessment of Stereoelectronic Factors That Influence the CO2 Fixation Ability of N-Heterocyclic Carbenes: A DFT Study

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

    Dr Cherumuttathu H Suresh

  69. DFT study on the mechanism of water-assisted dihydrogen elimination in group 6 octahedral metal hydride complexes

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

    Dr Cherumuttathu H Suresh

  70. NMR characterization of substituent effects in cation–π interactions

    Article • Chemical Physics Letters, January 2012, Elsevier

    Dr Cherumuttathu H Suresh

  71. Quantification of the Trans Influence in Hypervalent Iodine Complexes

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

    Dr Cherumuttathu H Suresh

  72. 5,5-Diaryldipyrromethanes: syntheses and anion binding properties

    Article • Tetrahedron Letters, November 2011, Elsevier

    Dr Cherumuttathu H Suresh

  73. NHC catalyzed CO2 fixation with epoxides: Probable mechanisms reveal ter molecular pathway

    Article • Tetrahedron Letters, October 2011, Elsevier

    Dr Cherumuttathu H Suresh

  74. Mechanisms of Reductive Eliminations in Square Planar Pd(II) Complexes: Nature of Eliminated Bonds and Role oftransInfluence

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

    Dr Cherumuttathu H Suresh

  75. Molecular fluorescent probe for Zn2+ based on 2-(2-nitrostyryl)-8-methoxyquinoline

    Article • Tetrahedron Letters, September 2011, Elsevier

    Dr Cherumuttathu H Suresh

  76. Quantitative Assessment of Substituent Effects on Cation−π Interactions Using Molecular Electrostatic Potential Topography

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

    Dr Cherumuttathu H Suresh

  77. Water Splitting Promoted by a Ruthenium(II) PNN Complex: An Alternate Pathway through a Dihydrogen Complex for Hydrogen Production

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

    Dr Cherumuttathu H Suresh

  78. A higher energy conformer of (S)-proline is the active catalyst in intermolecular aldol reaction: Evidence from DFT calculations

    Article • Journal of Molecular Catalysis A Chemical, July 2011, Elsevier

    Dr Cherumuttathu H Suresh

  79. Assessment of Steric and Electronic Effects of N-Heterocyclic Carbenes in Grubbs Olefin Metathesis Using Molecular Electrostatic Potential

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

    Dr Cherumuttathu H Suresh

  80. Substituent Effects in Cation−π Interactions: A Unified View from Inductive, Resonance, and Through-Space Effects

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

    Dr Cherumuttathu H Suresh

  81. Bond dissociation energies of ligands in square planar Pd(II) and Pt(II) complexes: An assessment using trans influence

    Article • Journal of Organometallic Chemistry, May 2011, Elsevier

    Dr Cherumuttathu H Suresh

  82. Role of stereoelectronic features of imine and enamine in (S)-proline catalyzed mannich reaction of acetaldehyde: An in silico study

    Article • Journal of Computational Chemistry, April 2011, Wiley

    Dr Cherumuttathu H Suresh

  83. Assessment of Stereoelectronic Effects in Grubbs First-Generation Olefin Metathesis Catalysis Using Molecular Electrostatic Potential

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

    Dr Cherumuttathu H Suresh

  84. Novel semisquaraine regioisomers: isolation, divergent chemical reactivity and photophysical properties

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

    Dr Suresh Eringathodi, Dr Cherumuttathu H Suresh

  85. Mechanism of epoxide hydrolysis in microsolvated nucleotide bases adenine, guanine and cytosine: A DFT study

    Article • Organic & Biomolecular Chemistry, January 2011, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  86. Appraisal of Through-Bond and Through-Space Substituent Effects via Molecular Electrostatic Potential Topography

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

    Dr Cherumuttathu H Suresh

  87. Direct 1−3 Metal−Carbon Bonding and Planar Tetracoordinated Carbon in Group 6 Metallacyclobutadienes†

    Article • Organometallics, November 2010, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  88. Density Functional Theory Study of Gas Phase Hydrolysis of Titanium Tetrachloride

    Article • Bulletin of the Chemical Society of Japan, September 2010, The Chemical Society of Japan

    Dr Cherumuttathu H Suresh

  89. 2-Thia-1,3,5-triaza-7-phosphaadamantane-2,2-dioxide Revisited: Computational and Experimental Studies of a Neglected Phosphine

    Article • Organometallics, September 2010, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  90. Comparison of aromatic NH···π, OH···π, and CH···π interactions of alanine using MP2, CCSD, and DFT methods

    Article • Journal of Computational Chemistry, August 2010, Wiley

    Dr Cherumuttathu H Suresh

  91. ChemInform Abstract: Face Selectivity in Electrophilic Additions to Methylenenorsnoutanes: Relative Importance of Through-Space, Through-Bond and Electrostatic Interactions.

    Article • ChemInform, June 2010, Wiley

    Dr Cherumuttathu H Suresh

  92. Analysis of structural water and CH···π interactions in HIV-1 protease and PTP1B complexes using a hydrogen bond prediction tool, HBPredicT

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

    Dr Cherumuttathu H Suresh

  93. Use of Molecular Electrostatic Potential at the Carbene Carbon as a Simple and Efficient Electronic Parameter of N-heterocyclic Carbenes†

    Article • Inorganic Chemistry, May 2010, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  94. Quantification of mutual trans influence of ligands in Pd(ii) complexes: a combined approach using isodesmic reactions and AIM analysis

    Article • Dalton Transactions, January 2010, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  95. Conformational control in a bipyridine linked π-conjugated oligomer: cation mediated helix unfolding and refolding

    Article • Chemical Communications, January 2010, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  96. Pictorial representation and validation of Clar's aromatic sextet theory using molecular electrostatic potentials

    Article • New Journal of Chemistry, January 2010, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  97. An electrostatic scale of substituent resonance effect

    Article • Tetrahedron Letters, December 2009, Elsevier

    Dr Cherumuttathu H Suresh

  98. ChemInform Abstract: Modified 26 and 28π Hexaphyrins wiht Five meso-Links: Optical, Redox, and Structural Properties.

    Article • ChemInform, August 2009, Wiley

    Dr Cherumuttathu H Suresh

  99. Typical aromatic noncovalent interactions in proteins: A theoretical study using phenylalanine

    Article • Journal of Computational Chemistry, July 2009, Wiley

    Dr Cherumuttathu H Suresh

  100. Modified 26 and 28 π Hexaphyrins with Fivemeso-Links: Optical, Redox, and Structural Properties

    Article • Chemistry - An Asian Journal, June 2009, Wiley

    Dr Cherumuttathu H Suresh

  101. Quantification of substituent effects using molecular electrostatic potentials: additive nature and proximity effects

    Article • New Journal of Chemistry, January 2009, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  102. Anomalous reaction of oxide radical ion with 5-azacytosines: An experimental and theoretical study

    Article • Chemical Physics Letters, January 2009, Elsevier

    Dr Cherumuttathu H Suresh

  103. C−H Bond Activation through σ-Bond Metathesis and Agostic Interactions: Deactivation Pathway of a Grubbs Second-Generation Catalyst

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

    Dr Cherumuttathu H Suresh

  104. Oxidation of cinnamic acid derivatives: A pulse radiolysis and theoretical study

    Article • Chemical Physics, July 2008, Elsevier

    Dr Cherumuttathu H Suresh

  105. Liquid Crystalline Phase Behavior of High Molecular Weight DNA: A Comparative Study of the Influence of Metal Ions of Different Size, Charge and Binding Mode

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

    Dr Cherumuttathu H Suresh

  106. Pyridine‐Catalyzed Stereoselective Addition of Acyclic 1,2‐Diones to Acetylenic Esters: Synthetic and Theoretical Studies of an Unprecedented Rearrangement

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

    Dr Cherumuttathu H Suresh

  107. Theoretical studies on the carcinogenicity of polycyclic aromatic hydrocarbons

    Article • Journal of Computational Chemistry, March 2008, Wiley

    Dr Cherumuttathu H Suresh

  108. Role of structural water molecule in HIV protease-inhibitor complexes: A QM/MM study

    Article • Journal of Computational Chemistry, March 2008, Wiley

    Dr Cherumuttathu H Suresh

  109. Molecular Packing and Solid-State Fluorescence of Alkoxy-Cyano Substituted Diphenylbutadienes:  Structure of the Luminescent Aggregates

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

    Dr Cherumuttathu H Suresh, Dr Saleesh Kumar Nambalan Sivaraman

  110. Use of molecular electrostatic potential for quantitative assessment of inductive effect

    Article • Physical Chemistry Chemical Physics, January 2008, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  111. Theoretical studies on the carcinogenic activity of diol epoxide derivatives of PAH: proton affinity and aromaticity as decisive descriptors

    Article • Organic & Biomolecular Chemistry, January 2008, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  112. Quantitative Assessment of the Stereoelectronic Profile of Phosphine Ligands

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

    Dr Cherumuttathu H Suresh

  113. Rapid reduction and complexation of vanadium by 1-phenyl-3-methyl-4-toluoyl-5-pyrazolone: Spectroscopic characterization and structure modelling

    Article • Polyhedron, October 2007, Elsevier

    Dr Cherumuttathu H Suresh

  114. Synthesis of poly(N-isopropylacrylamide) copolymer containing anhydride and imide comonomers – A theoretical study on reversal of LCST

    Article • Polymer, October 2007, Elsevier

    Dr Cherumuttathu H Suresh

  115. One‐Pot Synthesis of Core‐Modified Rubyrin, Octaphyrin, and Dodecaphyrin: Characterization and Nonlinear Optical Properties

    Article • European Journal of Organic Chemistry, August 2007, Wiley

    Professor Debabrata Goswami, Dr Cherumuttathu H Suresh, Dr Suresh Eringathodi

  116. Photochromic Dibenzobarrlenes:  Long-Lived Triplet Biradical Intermediates

    Article • Journal of the American Chemical Society, August 2007, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  117. In Situ Synthesis of Metal Nanoparticles and Selective Naked-Eye Detection of Lead Ions from Aqueous Media

    Article • The Journal of Physical Chemistry C, August 2007, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  118. Intramolecular Hydrogen Bond Energy in Polyhydroxy Systems:  A Critical Comparison of Molecular Tailoring and Isodesmic Approaches

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

    Dr Cherumuttathu H Suresh

  119. A Base-Sugar−Phosphate Three-Layer ONIOM Model for Cation Binding:  Relative Binding Affinities of Alkali Metal Ions for Phosphate Anion in DNA

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

    Dr Cherumuttathu H Suresh

  120. Molecular Recognition in an Organic Host–Guest Complex: CH···O and CH···π Interactions Completely Control the Crystal Packing and the Host–Guest Complexation

    Article • Bulletin of the Chemical Society of Japan, March 2007, The Chemical Society of Japan

    Dr Cherumuttathu H Suresh, Dr Suresh Eringathodi

  121. Meso—meso Linked Core Modified 22π Smaragdyrins with Unusual Absorption Properties.

    Article • ChemInform, March 2007, Wiley

    Dr Cherumuttathu H Suresh

  122. Design and synthesis of squaraine based near infrared fluorescent probes

    Article • Tetrahedron, February 2007, Elsevier

    Dr Cherumuttathu H Suresh

  123. Electrostatic Potential Minimum of the Aromatic Ring as a Measure of Substituent Constant

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

    Dr Cherumuttathu H Suresh

  124. Interplay of dual reactivity in the reaction of pentafulvenes with 1,2,4-triazoline-3,5-diones: experimental and theoretical investigations

    Article • New Journal of Chemistry, January 2007, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh, Dr Suresh Eringathodi

  125. Aromaticity Driven Rupture of CN and CC Multiple Bonds

    Article • January 2007, Springer Science + Business Media

    Dr Cherumuttathu H Suresh

  126. Rearrangement of 1,3-Dipolar Cycloadducts Derived from Bis(phenylazo)stilbene:  A DFT Level Mechanistic Investigation#

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

    Dr Cherumuttathu H Suresh

  127. Nature of α,β-CCC agostic bonding in metallacyclobutanes

    Article • Journal of Organometallic Chemistry, December 2006, Elsevier

    Dr Cherumuttathu H Suresh

  128. 22π Smaragdyrin Molecular Conjugates with Aromatic Phenylacetylenes and Ferrocenes:  Syntheses, Electrochemical, and Photonic Properties

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

    Professor Debabrata Goswami, Dr Cherumuttathu H Suresh

  129. Role of Mg2+and Ca2+in DNA Bending:  Evidence from an ONIOM-Based QM-MM Study of a DNA Fragment

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

    Dr Cherumuttathu H Suresh

  130. Molecular Electrostatic Potential Approach to Determining the Steric Effect of Phosphine Ligands in Organometallic Chemistry†

    Article • Inorganic Chemistry, June 2006, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  131. [6+3] Cycloaddition of pentafulvenes with 3-oxidopyrylium betaine: a novel methodology toward the synthesis of 5–8 fused oxabridged cyclooctanoids

    Article • Tetrahedron, June 2006, Elsevier

    Dr Cherumuttathu H Suresh

  132. Aromaticity-Driven Rupture of CN Triple and CC Double Bonds:  Mechanism of the Reaction between Cp2Ti(C4H4) and RCN

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

    Dr Cherumuttathu H Suresh

  133. An isodesmic reaction based approach to aromaticity of a large spectrum of molecules

    Article • Chemical Physics Letters, February 2006, Elsevier

    Dr Cherumuttathu H Suresh

  134. Sterically encumbered regioselective cycloaddition of a calixarene derived bis(spirodienone) with 1,2-benzoquinones

    Article • Tetrahedron Letters, February 2006, Elsevier

    Dr Cherumuttathu H Suresh, Dr Suresh Eringathodi

  135. Meso–meso linked core modified 22π smaragdyrins with unusual absorption properties

    Article • Chemical Communications, January 2006, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  136. A squaraine-based chemosensor for Hg2+ and Pb2+

    Article • Tetrahedron, January 2006, Elsevier

    Dr Cherumuttathu H Suresh

  137. Theoretical Study of the Formation of a Benzene Cobalt Complex from Cobaltacyclopentadiene and Acetylene

    Article • Bulletin of the Chemical Society of Japan, May 2005, The Chemical Society of Japan

    Dr Cherumuttathu H Suresh

  138. OXIDATIVE ADDITION OF C–X BOND IN HCCX (X = H, CH3, ANDSiH3) TO RHODIUM(I) COMPLEX AND SUBSEQUENT 1,3-MIGRATION OF X: A DFT LEVEL STUDY

    Article • Journal of Theoretical and Computational Chemistry, March 2005, World Scientific Pub Co Pte Lt

    Dr Cherumuttathu H Suresh

  139. α,β-(C–C–C) Agostic bonds in transition metal based olefin metathesis catalyses

    Article • Dalton Transactions, January 2005, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  140. Orbital Interactions in the Ruthenium Olefin Metathesis Catalysts

    Article • Organometallics, January 2004, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  141. C−C Bond Cleavage of Acetonitrile by a Carbonyl Iron Complex with a Silyl Ligand

    Article • Organometallics, January 2004, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  142. Rearrangement of the Cyclohexadiene Derivatives of C60 to Bis(fulleroid) and Bis(methano)fullerene: Structure, Stability, and Mechanism.

    Article • ChemInform, August 2003, Wiley

    Dr Cherumuttathu H Suresh

  143. Rearrangement of the Cyclohexadiene Derivatives of C60to Bis(fulleroid) and Bis(methano)fullerene:  Structure, Stability, and Mechanism

    Article • The Journal of Organic Chemistry, May 2003, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  144. A Novel Photorearrangement of a Cyclohexadiene Derivative of C60

    Article • Organic Letters, April 2002, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  145. Accurate Calculation of Aromaticity of Benzene and Antiaromaticity of Cyclobutadiene:  New Homodesmotic Reactions

    Article • The Journal of Organic Chemistry, March 2002, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  146. Quantifying the Electronic Effect of Substituted Phosphine Ligands via Molecular Electrostatic Potential

    Article • Inorganic Chemistry, March 2002, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  147. A Molecular Electrostatic Potential Bond Critical Point Model for Atomic and Group Electronegativities

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

    Dr Cherumuttathu H Suresh

  148. Migration Tendencies of Group 14 Element Ligands in the Coordination Sphere of Cationic Phosphenium Iron Complexes

    Article • Organometallics, October 2001, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  149. Revisiting Markovnikov Addition to Alkenes via Molecular Electrostatic Potential

    Article • The Journal of Organic Chemistry, October 2001, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  150. A Consistent Approach toward Atomic Radii

    Article • The Journal of Physical Chemistry A, June 2001, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  151. Conjugation Involving Nitrogen Lone-Pair Electrons:  Can It Lead to Stable Multiply Charged Cations?

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

    Dr Cherumuttathu H Suresh

  152. Molecular Electrostatic Potential and Electron Density Topography:  Structure and Reactivity of (substituted arene)Cr(CO) 3 Complexes

    Article • Organometallics, August 2000, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  153. Ab Initio Structure and Vibrational Frequencies of (CF 3 SO 2 ) 2 N - Li + Ion Pairs

    Article • The Journal of Physical Chemistry A, September 1999, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  154. Clar's Aromatic Sextet Theory Revisited via Molecular Electrostatic Potential Topography

    Article • The Journal of Organic Chemistry, April 1999, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  155. A Novel Electrostatic Approach to Substituent Constants:  Doubly Substituted Benzenes J. Am. Chem. Soc. 1998 , 120 , 7049−7055

    Article • Journal of the American Chemical Society, October 1998, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  156. A Novel Electrostatic Approach to Substituent Constants:  Doubly Substituted Benzenes

    Article • Journal of the American Chemical Society, July 1998, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  157. Theoretical studies on the structure of M + BF − 4 ion pairs M = Li + , NH + 4 : the role of electrostatics and electron correlation

    Article • Theoretical Chemistry Accounts, May 1998, Springer Science + Business Media

    Dr Cherumuttathu H Suresh

  158. Face selectivity in electrophilic additions to methylenenorsnoutanes: relative importance of through-space, through-bond and electrostatic interactions

    Article • Chemical Communications, January 1998, Royal Society of Chemistry

    Dr Cherumuttathu H Suresh

  159. Electrostatic Potential as a Harbinger of Cation Coordination:  CF 3 SO 3 - Ion as a Model Example

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

    Dr Cherumuttathu H Suresh

  160. Electronic Perturbations of the Aromatic Nucleus:  Hammett Constants and Electrostatic Potential Topography †

    Article • The Journal of Organic Chemistry, April 1997, American Chemical Society (ACS)

    Dr Cherumuttathu H Suresh

  161. Basis set dependence of the molecular electrostatic potential topography. A case study of substituted benzenes

    Article • Chemical Physics Letters, June 1995, Elsevier

    Dr Cherumuttathu H Suresh