Dr.Suresh C H

Dr.Suresh C H

Dr. Suresh C. H. hails from Kottayam, Kanjirappally. He did his M.Sc. in Chemistry at Mahatma Gandhi University, Kottayam in 1992 (first rank). He joined the group of Prof. Shridhar R. Gadre at Department of Chemistry, University of Pune in 1993 for PhD. He obtained the degree in 1999 in the area of computational chemistry. Also a part of his PhD was carried out at Nagoya University, Japan with the Monbusho scholarship. He received the JSPS post-doctoral fellowship in 2000 with Professor Nobuaki Koga.  During the 2002-2004 period, his post-doc position at Nagoya University was supported by the Venture Business Laboratory.  He also stayed as a post-doc in the group of Prof. Mu-Hyun Baik, Indiana University Bloomington, USA during 2004-2005.  He joined CSIR-NIIST as scientist in 2005. He was promoted to senior scientist in 2008, principal scientist in 2011, senior principal scientist in 2016 and chief scientist in 2021. In 2008, Suresh received the Alexander von Humboldt fellowship to work in the group of Prof. Gernot Frenking at Marburg University, Germany.  He was a recipient of CRSI bronze medal and elected Fellow of the Indian Academy of Sciences, Bangalore (2022). He works on topology analysis of molecular electrostatic potential and its applications. He has vast experience in the areas of electronic structure theory, homogeneous catalysis and reaction mechanisms (organic, organometallic and inorganic systems). He has published over 220 research papers in peer-reviewed journals.

I am interested in the creative use of theoretical and computational methods and programs to solve problems in organic, organometallic, bio-organic and photochemistry areas. I am also interested in QSAR studies, protein-ligand interactions, and structure-based drug design. I would like to collaborate with experimental research groups to test theoretical predictions and to develop new reactions, reagents, drugs, and catalysts which have been designed from theoretical predictions.

www.niist.res.in/chsuresh/

Achievements & Awards

Awards, Honours & Fellowships

  • Elected fellow of the Indian Academy of Science, Bangalore, 2022
  • Ranked in Stanford University study of the world’s top 2% of scientists
  • Elected member of the Council of the Chemical Research Society of India (CRSI) for the period 2020-2023
  • Chemical Research Society of India (CRSI) Bronze Medal 2019
  • Nominated as the Coordinator of Academy of Scientific and Innovative Research (AcSIR) at CSIR-NIIST Campus, Trivandrum 2019
  • Nominated as the Coordinator of the JIGYASA activities of CSIR-NIIST, 2018
  • Distinguished Lectureship Award by Japan Chemical Society in the Asian International Symposium for Outstanding Young Chemists, 94th Japan Chemical Society Meeting at Nagoya University, Japan, March 27-30, 2014
  • MIT Boston Young Investigators Meeting (YIM) Young Scientists Award, 2013.
  • Chemical Research Society of India, Young Scientist Award, 2012.
  • Membership award of American Chemical Society, 2015-2018.
  • Alexander von Humboldt Foundation Fellowship, 2009
  • Member, Board of studies Bioinformatics, Calicut University, Kerala, 2009
  • 3 Year Merit Promotions to Senior Scientist in 2008 and Principal Scientist in 2011.
  • JSPS Fellowship, 2002
  • MONBUSHO-Japan, research scholarship, 1997
  • Invited speaker for 56 National and International conferences & Symposia.
  • Acted as Guest Editor for Journal of Computational Chemistry for the special issues on ‘Molecular Electron Densities and Electrostatic Potentials’, 2018.
  • Selected two of papers in the 5th and 7th rank in a list of 25 selected papers in Phys. Chem. A by Indian authors during the period 2012 -2016 to make a special virtual edition of ‘Physical Chemistry in India’ by ACS publications, 2017.
Completed Projects as Principle Investigator
  • DST-SERB Core Grant: Development of quantum chemical descriptor (QCD) based method for screening drug-like molecules: A theoretical alternative for Lipinski rule – 2020 – 2023
  • DST project entitled ‘Rational Discovery of novel photoresponsive molecules and materials: Molecular modeling, simulations and synthesis’, 2007-2010
  • CSIR EMPOWER project entitled ‘Development of homogeneous catalysts for water splitting – A key technology for sustainable energy’, 2010-2012
  • Extension of CSIR EMPOWER project entitled ‘Development of homogeneous catalysts for water splitting – A key technology for sustainable energy’, 2012-2014
  • Industrial project supported by Corning, Inc. France entitled ‘Development of superior photochromic dyes’, 2010-2012.
  • CSIR project entitled ‘Center for excellence for computational chemistry: An integral tool for multi-scale simulation to design materials, processes and simulation of molecular recognition processes in biology ‘, 2010-2012.
  • CSIR project entitled ‘Multi-scale simulation and modeling approaches to designing smart functional materials for use in energy, electrochemistry and bio-mimetics (MSM)’, 2012-2017
  • DST-SERB project entitled ‘Quantum chemical modeling of CC and CN metathesis reactions and functional molecules containing unusual carbon-metal bonds’, 2016-2019
  • CSIR-NIIST project entitled ‘Generation of state of the art knowledge on functional organic inorganic, bioactive and photonic material and their effective utilization’, 2015-2020
  • DST-SERB project entitled ‘Utilization and activation of CO2 via transition metal-mediated insertion reaction: A computational study’, 2014-2017.
  • DST-SERB project entitled ‘Design metal organic framework (MOF) for single step capture and conversion of CO2 at ambient conditions’, 2017-2019
  • AISRF project entitled ‘Large area opto-electronics for Australia and India: from materials to advanced devices’, 2018-2020.
  • DST-SERB Project entitled ‘Design and development of efficient, stable and cost effective organic dyes and its application in dye-sensitized solar cells’, 2018-2021.
Membership
  • Life member, Chemical Research Society of India
  • Life member, Society for Polymer Science, India
  • Life member, Alexander von Humboldt Foundation, Germany
  • American Chemical Society membership award (2015-2018)
Publications
  • Thiyagarajan S, Sankar RV, Anjalikrishna PK, Suresh CH, Gunanathan C, Catalytic Formal Conjugate Addition: Direct Synthesis of delta-Hydroxynitriles from Nitriles and Allylic Alcohols, ACS Catal., 12, 2022, 2191
  • Suresh CH, Remya GS, Anjalikrishna PK, Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity, Wiley Interdiscip. Rev. Comput. Mol. Sci., 2022
  • Shamjith S, Joseph MM, Murali VP, Remya GS, Nair JB, Suresh CH, Maiti KK, NADH-depletion triggered energy shutting with cyclometalated iridium (III) complex enabled bimodal Luminescence-SERS sensing and photodynamic therapy, Biosens. Bioelectron., 204, 2022, 114087
  • Krishnapriya VU, Suresh CH, The use of electrostatic potential at nuclei in the analysis of halogen bonding, New J. Chem., 46, 2022, 6158
  • Haritha M, Suresh CH, Hydration patterns of rings in drugs and relationship to lipophilicity: A DFT study, J. Comput. Chem., 43, 2022, 477
  • Anila S, Suresh CH, Fulleride-metal n5 sandwich and multi-decker sandwich complexes: A DFT prediction, J. Comput. Chem., 2022
  • Remya GS, Suresh CH, On the ineffectiveness of Grubbs-type iron olefin metathesis catalysts: Role of spin-state isomerism and cyclopropanation, Inorg. Chim. Acta., 538, 2022, 120971
  • Shukla A, Mai VTN, Divya VV, Suresh CH, Paul M, Karunakaran V, McGregor SKM, Allison I, Unni KNN, Ajayaghosh A, Namdas EB, Lo S-C, Amplified Spontaneous Emission from Zwitterionic Excited-State Intramolecular Proton Transfer, J. Am. Chem. Soc., 2, 2022, 163
  • Anila S, Suresh CH, Schaefer HF, Demarcating Noncovalent and Covalent Bond Territories: Imine-CO2 Complexes and Cooperative CO2 Capture, J. Phys. Chem. A, 3, 2022, 221
  • Rakhi R, Suresh CH, Optoelectronic Properties of Polycyclic Benzenoid Hydrocarbons of Various Sizes and Shapes for Donor-pi- Acceptor Systems: A DFT Study, ChemistrySelect., 6, 2021, 2760
  • Nitha PR, Jayadev V, Pradhan SC, Divya VV, Suresh CH, John J, Soman S, Ajayaghosh A, Regulating Back Electron Transfer through Donor and pi-Spacer Alterations in Benzothieno [3, 2-b] indole-based Dye-sensitized Solar Cells, Chem. Asian. J., 15, 2021, 3503
  • Divya VV, Suresh CH, Tuning the donating strength of dye sensitizers using molecular electrostatic potential analysis, New J. Chem., 45, 2021, 2496
  • Anila S, Suresh CH, Endo-and exohedralchloro-fulleride as n5 ligands: a DFT study on the first-row transition metal complexes, Phys. Chem. Chem. Phys., 23, 2021, 3646
  • Anila S, Suresh CH, Imidazolium–fulleride ionic liquids–a DFT prediction, Chem. Chem. Phys., 23, 2021, 20086
  • Sreedevi P, Nair JB, Joseph MM, Murali VP, Suresh CH, Varma RL, Maiti KK, Dynamic self-assembly of mannosylated-calix [4] arene into micelles for the delivery of hydrophobic drugs, J. Control. Release, 339, 2021, 284
  • Rakhi R, Suresh CH, Optoelectronic Properties of Polycyclic Benzenoid Hydrocarbons of Various Sizes and Shapes for Donor-pi-Acceptor Systems: A DFT Study, ChemistrySelect., 6, 2021, 2760
  • Linet A, Joseph MM, Haritha M, ShamnaVarughese S, Devi PS, Suresh CH, De novo design and synthesis of boomerang-shaped molecules and their in silico and SERS-based interactions with SARS-CoV-2 spike protein and ACE2, New J. Chem., 45, 2021, 17777
  • Gadre SR, Suresh CH, Mohan N, Electrostatic potential topology for probing molecular structure, bonding and reactivity, Molecules, 26, 2021, 3289
  • Divya VV, Suresh CH, Design and DFT study of nitrogen-rich donor systems for improved photovoltaic performance in dye-sensitized solar cells., New J. Chem., 45, 2021, 11585
  • Behera D, Thiyagarajan S, Anjalikrishna PK, Suresh CH, Gunanathan C, Ruthenium (II)-CatalyzedRegioselective 1, 2-Hydrosilylation of N-Heteroarenes and Tetrel Bonding Mechanism., ACS Catal., 11, 2021, 5885
  • Anjalikrishna PK, Gadre SR, Suresh CH, Antiaromaticity–Aromaticity Interplay in Fused Benzenoid Systems Using Molecular Electrostatic Potential Topology, J. Phys. Chem. A, 125, 2021, 5999
  • Anila S, Suresh CH, Guanidine as a strong CO2 adsorbent: a DFT study on cooperative CO2 adsorption, Phys. Chem. Chem. Phys., 23, 2021, 13662
  • Anjali BA, Suresh CH, Absorption and Emission Properties of 5-Phenyl Tris(8-hydroxyquinolinato) M(III) Complexes (M = Al, Ga, In) and Correlations with Molecular Electrostatic Potential, J. Comput. Chem., 41, 2020, 1497
  • Divya VV, Suresh CH, Density Functional Theory Study on the Donating Strength of Donor Systems in Dye-Sensitized Solar Cells, New J. Chem., 44, 2020, 7200
  • Das M, Chitranshi S, Murugavel M, Adinarayana B Suresh CH, Srinivasan A, Isosmaragdyrin with N3C2 core: Stabilization of Rh (I) and Organo-Pt (II) complexes, Chem. Comm., 56, 2020, 3551
  • Remya GS, Suresh CH, Substituent Effect Parameters: Extending the Applications to Organometallic Chemistry, Chem. Phys. Chem., 21, 2020, 1028
  • Sulfikarali T, Ajay J, Suresh CH, Bijina PV, Gokulnath S, Synthesis, Structure, and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene-Linked Dicarbaporphyrinoids by Simple pi-Expansion, J. Org. Chem., 85, 2020, 8021
  • Anjali BA, Suresh CH, Absorption and Emission Properties of 5-Phenyl Tris(8-hydroxyquinolinato) M(III) Complexes (M = Al, Ga, In) and Correlations with Molecular Electrostatic Potential, J. Comput. Chem., 41, 2020, 1497
  • Divya VV, Suresh CH, Density Functional Theory Study on the Donating Strength of Donor Systems in Dye-Sensitized Solar Cells, New J. Chem., 44, 2020, 7200
  • Das M, Chitranshi S, Murugavel M, Adinarayana B, Suresh CH, Isosmaragdyrin with N3C2 core: Stabilization of Rh (I) and Organo-Pt (II) complexes, Chem. Commun., 56, 2020, 3551
  • Asha A, Ravindran J, Suma S, Suresh CH, Lankalapalli RS, Synthesis of 2, 5-Diamino-p—benzoquinones via Aerobic Oxidative C (sp2)-C (sp2) Bond Cleavage and Mechanistic Studies, ChemistrySelect., 5, 2020, 2545
  • Sugunan A, Suresh CH, Rajendar G, A Method for the Preparation of beta-Amino-alpha, beta-unsaturated Carbonyl Compounds: Study of Solvent Effect and Mechanism, Org. Lett., 22, 2020, 1040
  • Bijina PV, Suresh CH, Molecular Electrostatic Potential Reorganization Theory to Describe Positive Cooperativity in Noncovalent Trimer Complexes, J. Phys. Chem. A, 124, 2020, 2231
  • Ghosh A, Dash S, Srinivasan A, Suresh CH, Peruncheralathan S, Chandrashekar TK, Core-modified 48pi and 42pi decaphyrins: syntheses, properties and structures, Org Chem Front, 6, 2019, 3746-3753
  • Ghosh A, Dash S, Srinivasan A, Suresh CH, Chandrashekar TK, Two non-identical twins in one unit cell: characterization of 34pi aromatic core-modified octaphyrins, their structural isomers and anion bound complexes, ChemSci 10, 2019, 5911-5919
  • Janardhanan JC, James K, Puthuvakkal A, Bhaskaran RP, Suresh CH, Praveen VK, Manoj N, Babu BP, Synthesis of hybrid polycycles containing fused hydroxybenzofuran and 1 H-indazoles via a domino cyclization reaction, New J Chem 43, 2019, 10166-10175
  • Pillai RS, Suresh CH*, Computational prediction of promising pyrazine and bipyridine analogues of a fluorinated MOF platform, MFN-Ni-L (M= SI/AL; N= SIX/FIVE; L= pyr/bipyr), for CO2 capture under pre-humidified conditions, Phys Chem Chem Phys 21, 2019, 16127-16136
  • Remya GS, Suresh CH*, Hydrogen elimination reactivity of ruthenium pincer hydride complexes: a DFT study, New J Chem 43, 2019, 14634-14642
  • Rohman SS, Sarmah B, Borthakur B, Remya GS, Suresh CH, Phukan AK, Extending the Library of Boron Bases: A Contribution from Theory, Organometallics 38, 2019, 2770-2781
  • Allison I, Lim H, Shukla A, Ahmad V, Hasan M, Deshmukh K, Solution Processable Deep-Red Phosphorescent Pt (II) Complex: Direct Conversion from Its Pt (IV) Species via a Base-Promoted Reduction, ACS Applied Electronic Materials 1 (2019) 1304-1313., ACS App Elect Mat 1, 2019, 1304-1313
  • Dash S, Ghosh A, Srinivasan A, Suresh CH, Chandrashekar TK, Protonation-Triggered Huckel and Mobius Aromatic Transformations in Nonaromatic Core-Modified [30] Hexaphyrin (2.1. 1.2. 1.1) and Annulated [28] Hexaphyrin (2.1. 1.0. 1.1), Organic Lett 21, 2019, 9637-9641
  • Anila S, Suresh CH*, Formation of large clusters of CO2 around anions: DFT study reveals cooperative CO2 adsorption, Phys Chem Chem Phys, 21, 2019, 23143-23153
  • Anjalikrishna PK, Suresh CH*, Gadre SR, Electrostatic Topographical Viewpoint of pi-Conjugation and Aromaticity of Hydrocarbons, J PhysChem A, 123, 2019, 10139-10151
  • John J, Omanakuttan VK,  Suresh CH, Jones PG, Hopf H, Tandem alphaArylation/Cyclization of 4-Haloacetoacetates with Arynes: A Metal-Free Approach toward 4-Aryl-3-(2H)-furanones, Journal of Organic Chemistry, 84, 2019, 5957–5964
  • Divya VV, Sayyed FB, Suresh CH*, Substituent Effect Transmission Power of Alkyl, Alkenyl, Alkynyl, Phenyl, Thiophenyl and Polyacene Spacers, Chem Phys Chem, 2019
  • Divya VV, Suresh CH*, Electronic Structure of Bis(4-dimethylaminophenyl)squaraine, Chemistry Select, 4, 2019, 3387-3394
  • Adinarayana B, Das M, Suresh CH, Srinivasan A, Homocarbaporphyrinoids: The m-o-m and p-o-p Terphenyl Embedded Expanded Porphyrin Analogues and Their RhI Complexes, Chemistry-European Journal, 25, 2019, 4683 –4687
  • Bijina PV, Suresh CH*, Gadre SR, Electrostatics for probing lone pairs and their interactions., Journal of computational chemistry, 39, 2018, 488-49
  • Sreedevi P, Nair JB, Preethanuj P, Jeeja BS, Suresh CH, Maiti, KK, Varma RL, Calix [4] arene Based Redox Sensitive Molecular Probe for SERS Guided Recognition of Labile Iron Pool in Tumor Cells, Analytical chemistry,  90, 2018, 7148-7153
  • Anjali BA, Suresh CH*, Predicting reduction potentials of 1, 3, 6-triphenyl fulvenes using molecular electrostatic potential analysis of substituent effects., Journal of computational chemistry, 39, 2018, 881-888
  • Della TD, Suresh CH*, Sumanene: an efficient pi-bowl for dihydrogen storage., Physical Chemistry Chemical Physics, 20, 2018, 6227-6235
  • Remya PR, Suresh CH*, Grubbs and Hoveyda-Grubbs catalysts for pyridine derivative synthesis: Probing the mechanistic pathways using DFT., Molecular Catalysis, 450, 2018, 29-38
  • KrishnaA, Darshan V, Suresh CH, Unni KN, Varma RL, Solution processablecarbazole derivatives for dopant free single molecule white electroluminescence by room temperature phosphorescence., Journal of Photochemistry and Photobiology A: Chemistry, 360, 2018, 249-254
  • Remya GS, Suresh CH*, Assessment of the electron donor properties of substituted phenanthroline ligands in molybdenum carbonyl complexes using molecular electrostatic potentials, New Journal of Chemistry, 42, 2018, 3602-3608
  • Sandhya KS, Remya GS, Suresh CH*, Intermolecular dihydrogen bonding in VI, VII, and VIII group octahedral metal hydride complexes with water., Journal of Chemical Sciences, 130, 2018, 98
  • Della TD, Suresh CH*, Anion-encapsulating fullerenes behave as large anions: a DFT study., Physical Chemistry Chemical Physics,  20, 2018, 24885-24893
  • Anjali BA, Suresh CH*, Electronic effect of ligands vs. reduction potentials of Fischer carbene complexes of chromium: a molecular electrostatic potential analysis, New Journal of Chemistry,  42, 2018, 18217-18224
  • Salfeena CTF, Basavaraja, Ashitha KT, Praveen V Kumar, Varughese S, Suresh CH, Sasidhar BS, Synthesis of symmetrical and unsymmetrical triarylpyrylium ions via an inverse electron demand Diels–Alder reaction., Chemical Communications,  54, 2018,  12463-12466
  • Suresh CH*, Mohan N, Della TD, A Noncovalent Binding Strategy to Capture Noble Gases, Hydrogen and Nitrogen., Journal of computational chemistry,39, 2018, 901-908
  • Janardhanan JC, Mishra RK, Das G, Sini S., Jayamurthy P, Suresh CH, Praveen VK, Manoj N, Babu BP, Functionalizable 1H-Indazoles by Palladium Catalyzed Aza-Nenitzescu Reaction: Pharmacophores to Donor-Acceptor Type Multi-Luminescent Fluorophores, Asian Journal of Organic Chemistry, 7, 2018, 2094-2104
  • Ghosh A, Dash S, Srinivasan A, Sahu MS, Suresh CH,Chandrashekar TK, 24pi Core-Modified NonfusedPentaphyrin with Möbius Aromaticity, Chemistry–A European Journal, 24, 2018, 17997-18002
  • Bijina PV, Suresh CH*, Hidden Dicarbene Nature of Acetylenes and Captodative Bonding on Carbon., Chem Phys Chem, 19, 2018, 3266-3272
  • Philips DS, Ghosh S, Sudheesh KV, Suresh CH, Ajayaghosh A, An Unsymmetrical Squaraine-Dye-Based Chemical Platform for Multiple Analyte Recognition, Chemistry–A European Journal, 23, 2017, 17973-17980
  • Anju KS, Das M, Adinarayana B, Suresh CH, Srinivasan A, meso-Aryl [20]pi Homoporphyrin: The Simplest Expanded Porphyrin with the Smallest Möbius Topology, AngewandteChemie, 129, 2017, 15873-15877
  • Ghosh S, Cherumukkil S, Suresh CH, Ajayaghosh A, A Supramolecular Nanocomposite as a Near-Infrared-Transmitting Optical Filter for Security and Forensic Applications, Advanced Materials, 29, 2017, 1703783
  • Remya PR, Suresh CH*, Mechanistic studies on acetylene cyclotrimerizationcatalyzed by Grubbs first and second generation catalysts, Molecular Catalysis, 441, 2017, 63–71
  • Rakhi R, Suresh CH*, 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, Journal of computational chemistry, 38, 2017, 2232-2240
  • Anjali BA, Suresh CH*, Interpreting Oxidative Addition of Ph–X (X = CH3, F, Cl, and Br) to MonoligatedPd(0) Catalysts Using Molecular Electrostatic Potential, ACS Omega, 2, 2017, 4196–4206
  • Della TD, Suresh CH*, Dihydrogen Binding Affinity of Polyatomic Anions: A DFT Study, ACS Omega, 2, 2017, 4505-4513
  • Challa C, Varughese S, Suresh CH, Lankalapalli RS, Metal-Free Multiple Carbon–Carbon and Carbon–Hydrogen Bond Activations via Charge-Switching Mechanism in Unstrained Diindolylmethanes, Organic letters, 19, 2017, 4219-4222
  • Remya PR, Suresh CH*, Theoretical evidence for bond stretch isomerism in Grubbs olefin metathesis, Journal of computational chemistry, 38, 2017, 1704-1711
  • Maya RJ, Krishna A, Sirajunnisa P, Suresh CH, Varma RL, Lower Rim-Modified Calix[4]arene–Bentonite Hybrid System as a Green, Reversible, and Selective Colorimetric Sensor for Hg2+ Recognition, ACS Sustainable Chemistry & Engineering, 5, 2017, 6969-6977
  • Sandhya KS, Suresh CH*, Quantification of Thermodynamic Hydridicity of Hydride Complexes of Mn, Re, Mo, and W Using the Molecular Electrostatic Potential, The Journal of Physical Chemistry A, 121, 2017, 2814-2819
  • Vijayalakshmi KP, Suresh CH*, Ammonia borane clusters: energetics of dihydrogen bonding, cooperativity, and the role of electrostatics, The Journal of Physical Chemistry A, 121, 2017, 2704-2714
  • Della TD, Suresh CH*, Massive dihydrogen uptake by anionic carbon chains, Physical Chemistry Chemical Physics, 19, 2017, 5830-5838
  • Rakhi  R, Suresh CH*, A DFT study on dihydropyrazine annulated linear polyacenes: aromaticity, stability and HOMO–LUMO energy modulation, Physical Chemistry Chemical Physics, 18, 2016, 24631-24641
  • Bijina PV, Suresh CH*, Molecular electrostatic potential analysis of non-covalent complexes, Journal of Chemical Science, 128, 2016, 1677–1686
  • Anjali BA, Sayyed FB, Suresh CH*, Correlation and Prediction of Redox Potentials of Hydrogen Evolution Mononuclear Cobalt Catalysts via Molecular Electrostatic Potential: A DFT Study, Journal of Physical Chemistry A, 120, 2016, 1112-1119
  • Chandrashekar TK, Ghosh A, Srinivasan A, Suresh CH, [40] pi Fused and Nonfused Core-Modified Nonaphyrins: Syntheses and Structural Diversity, Chemistry–A European Journal, 22, 2016, 11152 –11155
  • Remya GS, Suresh CH*, Quantification and classification of substituent effects in organic chemistry: a theoretical molecular electrostatic potential study, Physical Chemistry Chemical Physics, 18,  2016, , 20615-20626
  • Remya PR, Suresh CH*, Planar tetracoordinate carbon in tungstenacyclobutadiene from alkyne metathesis and expanded structures, Dalton Transactions, 45, 2016, 1769-1778
  • Ghosh A, Chaudhary A,  Srinivasan A, Suresh CH, Chandrashekar TK, [32] p Fused Core-Modified Heptaphyrin with Möbius Aromaticity, Chemistry–A European Journal, 22, 2016, 3942 – 3946
  • Della TD, Suresh CH*, The remarkable ability of anions to bind dihydrogen, Physical Chemistry Chemical Physics, 18, 2016, 14588-14602
  • Remya K, Suresh CH*, Carbon rings: a DFT study on geometry, aromaticity, intermolecular carbon–carbon interactions and stability, RSC Advances,  6, 2016, 44261-44271
  • Sandhya KS, Remya GS, Suresh CH*, Pincer Ligand Modifications To Tune the Activation Barrier for H2 Elimination in Water Splitting Milstein Catalyst pp, Inorganic Chemistry, 54, 2015, 11150–11156
  • Adinarayana B, Thomas AP, Suresh CH, Srinivasan A, A 6,11,16-Triarylbiphenylcorrole with an adj-CCNN Core: Stabilization of an Organocopper(III) Complex, AngewandteChemie, Int. Ed. 54, 2015, 10478-10482
  • Kumar PPP, Suresh CH*, Haridas V, A supramolecular approach to metal ion sensing: cystine-based designer systems for Cu2+, Hg2+, Cd2+ and Pb2+ sensing., Rsc Adv., 5, 2015, 7842-7847
  • Remya K, Suresh CH*, Non-covalent intermolecular carbon-carbon interactions in polyynes, Physical Chemistry Chemical Physics, 17, 2015, 27035-27044
  • Remya K, Suresh CH*, Intermolecular carbon-carbon, nitrogen-nitrogen and oxygen-oxygen non-covalent bonding in dipolar molecules, Physical Chemistry Chemical Physics, 17, 2015, 18380-18392
  • Remya PR, Suresh CH*, Hypercoordinate beta-carbon in Grubbs and Schrock olefin metathesis metallacycles, Dalton Transactions, 44, 2015, 17660-17672
  • Sharma S, Gopalakrishna MVS, Venugopalan P, Suresh CH, Haridas V, Stackabilization: self-assembling bispidinophanes, Tetrahedron, 71, 2015, 8302-8306
  • Soman S, Rahim MA, Lingamoorthy S, Suresh CH, Das S, Strategies for optimizing the performance of carbazolethiophene appended unsymmetrical squaraine dyes for dye-sensitized solar cells, Physical Chemistry Chemical Physics, 17, 2015, 23095-23103
  • Suresh CH*, Lincy TL, Mohan N, Rakhi R, Aromatization Energy and Strain Energy of Buckminsterfullerene from Homodesmotic Reactions., Journal of Physical Chemistry A, 119, 2015, 6683-6688
  • Vadivelu P, Suresh CH, 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, Inorganic Chemistry, 54, 2015, 502-512
  • Vadivelu P, Suresh CH, Computational prediction of cyclometalatedIr-III, Rh-III and Co-III amido complexes to capture up to three CO2 molecules., Dalton Transactions, 44, 2015, 16847-16853
  • Mohan N, Suresh CH*, Anion Receptors Based on Highly Fluorinated Aromatic Scaffolds, Journal of Physical Chemistry A, 118, 2014, 4315-4324
  • Karthik G, Srinivasan A, Suresh CH, Chandrashekar TK, Fused core-modified planar antiaromatic 32 pi heptaphyrins: unusual synthesis and structural diversity, Chemical Communications, 50, 2014, 12127-12130
  • Mohan N, Suresh CH*, A Molecular Electrostatic Potential Analysis of Hydrogen, Halogen, and Dihydrogen Bonds, Journal of Physical Chemistry A, 118, 2014, 1697-1705
  • Sankaralingam M, Balamurugan M, Palaniandavar M, Vadivelu P, Suresh CH*, Nickel(II) Complexes of Pentadentate N5 Ligands as Catalysts for Alkane Hydroxylation by Using m-CPBA as Oxidant: A Combined Experimental and Computational Study, Chemistry-A European Journal, 20, 2014, 11346-11361
  • Sandhya KS, Suresh CH*, Designing metal hydride complexes for water splitting reactions: a molecular electrostatic potential approach, Dalton Transactions, 43, 2014, 12279-12287
  • Mohan N, Suresh CH*, Accurate Binding Energies of Hydrogen, Halogen, and Dihydrogen Bonded Complexes and Cation Enhanced Binding Strengths, International Journal of Quantum Chemistry, 114, 2014, 885-894
  • Haridas V, Kumar PPP, Suresh CH, Cysteine-based fluorescence “turn-on” sensors for Cu2+ and Ag+, RSC Advances, 4, 2014, 56539-56542
  • Remya K, Suresh CH*, Cooperativity and Cluster Growth Patterns in Acetonitrile: A DFT Study, Journal of Computational Chemistry, 35, 2014, 910-922
  • Kumar A, Gadre SR, Mohan N, Suresh CH*, Lone Pairs: An Electrostatic Viewpoint , Journal of Physical Chemistry A, 118, 2014, 526-532
  • Suresh CH*, Sayyed FB, Resonance Enhancement via Imidazole Substitution Predicts New Cation Receptors, Journal of Physical Chemistry A, 117, 2013, 10455-10461
  • Suresh CH*, Frenking G, 1,3-Metal-Carbon Bonding Predicts Rich Chemistry at the Edges of Aromatic Hydrocarbons, Organometallics, 32, 2013, 1531-1536
  • Suresh CH*, Ajitha MJ, DFT Prediction of Multitopic N-Heterocyclic Carbenes Using Clar’s Aromatic Sextet Theory, Journal of Organic Chemistry, 78, 2013, 3918-3924
  • Remya K, Suresh CH*, Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using gaussian09, Journal of Computational Chemistry 34,2013, 1341-1353
  • Sandhya KS, Suresh CH*, Autotandem Aromatization-Dearomatization Pathways for PNP-Ru-II-Catalyzed Formation of Imine and Hydrogen from Alcohol and Amine, Organometallics, 32, 2013, 2926-2933
  • Sajith PK, Suresh CH*, Trans and Cis Influences in Hypervalentlodine(III) Complexes: A DFT Study, Inorganic Chemistry, 52, 2013, 6046-6054
  • Mohan N, Suresh CH*, Kumar A, Gadre SR, Molecular electrostatics for probing lone pair-pi interactions, Physical Chemistry Chemical Physics, 15, 2013, 18401-18409
  • Karthik, G, Lim, JM, Srinivasan A, Suresh CH, Kim D, Chandrashekar TK, Conformational Change from a Twisted Figure-Eight to an Open-Extended Structure in Doubly Fused 36 pi Core-Modified Octaphyrins Triggered by Protonation: Implication on Photodynamics and Aromaticity, Chemistry-a European Journal, 19, 2013, 17011-17020
  • Divya KP, Sreejith S, Suresh CH, Philips DS, Ajayaghosh A, Chain Folding Controlled by an Isomeric Repeat Unit: Helix Formation versus Random Aggregation in Acetylene-Bridged Carbazole-Bipyridine Co-Oligomers, Chemistry-an Asian Journal,  8, 2013, 1579-1586
  • Ajitha MJ, Suresh CH*, Role of base assisted proton transfer in N-heterocyclic carbene-catalyzed intermolecular Stetter reaction, Tetrahedron Letters, 54, 2013, 7144-7146
  • Shafeekh KM, Rahim MKA, Basheer MC, Suresh CH, Das S, Highly selective and sensitive colourimetric detection of Hg2+ ions by unsymmetrical squaraine dyes, Dyes and Pigments, 96, 2013, 714-721
  • Salini PS, Holaday MGD, Reddy MLP, Suresh CH, Srinivasan A, Fluorine interaction controlled AIEE phenomenon in an expanded calixbenzophyrin and its vapoluminescent response: turn on emission with volatile ketones and esters, Chemical Communications, 49, 2013, 2213-2215
  • Prasanthkumar KP, Suresh CH*, Aravindakumar CT, Dimer radical cation of 4-thiouracil: a pulse radiolysis and theoretical study., Journal of Physical Organic Chemistry, 26, 2013, 510- 516
  • Suresh CH*, Frenking G, 1,3-Metal-Carbon Bonding and Alkyne Metathesis: DFT Investigations on Model Complexes of Group 4, 5, and 6 Transition Metals, Organometallics, 31, 2012, 7171-7180
  • Sayyed FB, Suresh CH*, NMR characterization of substituent effects in cation-pi interactions, Chemical Physics Letters, 523, 2012, 11-14
  • Sayyed FB, Suresh CH*, Accurate Prediction of Cation-pi Interaction Energy Using Substituent Effects, Journal of Physical Chemistry A, 116, 2012, 5723-5732
  • Sandhya KS, Suresh CH*, DFT study on the mechanism of water-assisted dihydrogen elimination in group 6 octahedral metal hydride complexes, Dalton Transactions, 41, 2012, 11018-11025
  • Sajith PK, Suresh CH*, Quantification of the Trans Influence in Hypervalent Iodine Complexes, Inorganic Chemistry, 51, 2012, 967-977
  • Prasanthkumar KP, Suresh CH*, Aravindakumar CT, Theoretical study of the addition and abstraction reactions of hydroxyl radical with uracil, Radiation Physics and Chemistry, 81, 2012, 267-272
  • Prasanthkumar KP, Suresh CH*, Aravindakumar CT, Oxidation Reactions of 2-Thiouracil: A Theoretical and Pulse Radiolysis Study, Journal of Physical Chemistry A, 116, 2012, 10712-10720
  • Haridas V, Sadanandan S, Hundal G, Suresh CH*, 1,3-Phenyl linked urea-based receptors for anions and the facile cyclization to imidazolidinedione, Tetrahedron Letters, 53, 2012, 5523-5527
  • Ajitha MJ, Suresh CH*, Assessment of Stereoelectronic Factors That Influence the CO2 Fixation Ability of N-Heterocyclic Carbenes: A DFT Study, Journal of Organic Chemistry, 77, 2012, 1087-1094
  • Ajitha MJ, Mohanlal S, Suresh CH*, Jayalekshmy A, DPPH Radical Scavenging Activity of Tricin and Its Conjugates Isolated from “Njavara” Rice Bran: A Density Functional Theory Study, Journal of Agricultural and Food Chemistry, 60, 2012, 3693-3699
  • Yesudas JP, Sayyed FB, Suresh CH*,  Analysis of structural water and CH…pi interactions in HIV-1 protease and PTP1B complexes using a hydrogen bond prediction tool, HBPredicT, Journal of Molecular Modeling, 17, 2011, 401-413
  • Vijayalakshmi KP, Mohan N, Ajitha MJ, Suresh CH*, Mechanism of epoxide hydrolysis in microsolvated nucleotide bases adenine, guanine and cytosine: A DFT study, Organic &Biomolecular Chemistry, 9, 2011, 5115-5122
  • Sreedevi KCG, Thomas AP, Salini PS, Ramakrishnan S, Anju KS, Holaday MGD, Reddy MLP, Suresh CH, Srinivasan A, 5,5-Diaryldipyrromethanes: syntheses and anion binding properties, Tetrahedron Letters, 52, 2011, 5995-5999
  • Sayyed FB, Suresh CH*, Substituent Effects in Cation-pi Interactions: A Unified View from Inductive, Resonance, and Through-Space Effects, Journal of Physical Chemistry A, 115, 2011, 5660-5664
  • Sayyed FB, Suresh CH*, Quantitative Assessment of Substituent Effects on Cation-pi Interactions Using Molecular Electrostatic Potential Topography, Journal of Physical Chemistry A, 115, 2011, 9300-9307
  • Sandhya KS, Suresh CH*, Water Splitting Promoted by a Ruthenium(II) PNN Complex: An Alternate Pathway through a Dihydrogen Complex for Hydrogen Production, Organometallics, 30, 2011, 3888-3891
  • Sajith PK, Suresh CH*, Bond dissociation energies of ligands in square planar Pd(II) and Pt(II) complexes: An assessment using trans influence, Journal of Organometallic Chemistry, 696, 2011, 2086-2092
  • Sajith PK, Suresh CH*, Mechanisms of Reductive Eliminations in Square Planar Pd(II) Complexes: Nature of Eliminated Bonds and Role of trans Influence, Inorganic Chemistry, 50, 2011, 8085-8093
  • Praveen L, Suresh CH, Reddy MLP, Varma RL, Molecular fluorescent probe for Zn2+ based on 2-(2-nitrostyryl)-8-methoxyquinoline, Tetrahedron Letters, 52, 2011, 4730-4733
  • Mathew J, Suresh CH*, Assessment of Stereoelectronic Effects in Grubbs First-Generation Olefin Metathesis Catalysis Using Molecular Electrostatic Potential, Organometallics, 30, 2011, 1438-1444
  • Mathew J, Suresh CH*, Assessment of Steric and Electronic Effects of N-Heterocyclic Carbenes in Grubbs Olefin Metathesis Using Molecular Electrostatic Potential, Organometallics, 30, 2011, 3106-3112
  • Avirah RR, Jyothish K, Suresh CH, Suresh E, Ramaiah D, Novel semisquaraineregioisomers: isolation, divergent chemical reactivity and photophysical properties, Chemical Communications, 47, 2011, 12822-12824
  • Ajitha MJ, Suresh CH*, A higher energy conformer of (S)-proline is the active catalyst in intermolecular aldol reaction: Evidence from DFT calculations, Journal of Molecular Catalysis a-Chemical, 345, 2011, 37-43
  • Ajitha MJ, Suresh CH*, Role of Stereoelectronic Features of Imine and Enamine in (S)-prolineCatalyzedMannich Reaction of Acetaldehyde: An In silico Study, Journal of Computational Chemistry, 32, 2011, 1962-1970
  • Ajitha MJ, Suresh CH*, NHC catalyzed CO2 fixation with epoxides: Probable mechanisms reveal ter molecular pathway, Tetrahedron Letters, 52, 2011, 5403-5406
  • Vijayalakshmi KP, Suresh CH*, Pictorial representation and validation of Clar’s aromatic sextet theory using molecular electrostatic potentials, New Journal of Chemistry, 34, 2010, 2132-2138
  • Suresh CH*, Frenking G, Direct 1-3 Metal-Carbon Bonding and Planar Tetracoordinated Carbon in Group 6 Metallacyclobutadienes, Organometallics, 29, 2010, 4766-4769
  • Sternberg M, Suresh CH*, Mohr F, 2-Thia-1,3,5-triaza-7-phosphaadamantane-2,2-dioxide Revisited: Computational and Experimental Studies of a Neglected Phosphine, Organometallics, 29, 2010, 3922-3929
  • Sayyed FB, Suresh CH*, Gadre SR, Appraisal of Through-Bond and Through-Space Substituent Effects via Molecular Electrostatic Potential Topography, Journal of Physical Chemistry A, 114, 2010, 12330-12333
  • Sajith PK, Suresh CH*, Quantification of mutual trans influence of ligands in Pd(II) complexes: a combined approach using isodesmic reactions and AIM analysis, Dalton Transactions, 39, 2010, 815-822
  • Mohan N, Vijayalakshmi KP, Koga N, Suresh CH*, Comparison of Aromatic NH…pi, OH…pi, and CH…pi Interactions of Alanine Using MP2, CCSD, and DFT Methods, Journal of Computational Chemistry, 31, 2010, 2874-2882
  • Mathew J, Suresh CH*, Use of Molecular Electrostatic Potential at the Carbene Carbon as a Simple and Efficient Electronic Parameter of N-heterocyclic Carbenes, Inorganic Chemistry, 49, 2010, 4665-4669
  • John AK, Savithri S, Vijayalakshmi KP, Suresh CH*, Density Functional Theory Study of Gas Phase Hydrolysis of Titanium Tetrachloride, Bulletin of the Chemical Society of Japan, 83, 2010, 1030-1036
  • John AK, Savithri S, Vijayalakshmi KP, Suresh CH*, Density functional theory study of gas phase hydrolysis of titanium tetrachloride, Bulletin of the Chemical Society of Japan, 83, 2010, 1030-1036
  • Divya KP, Sreejith S, Suresh CH, Ajayaghosh A, Conformational control in a bipyridine linked pi-conjugated oligomer: cation mediated helix unfolding and refolding, Chemical Communications, 46, 2010, 8392-8394
Alumni
Jomon Dr. Jomon Mathew
Thesis title: Quantum mechanical assessment of stereoelectronic profile of phosphines and N-heterocyclic carbenes and applications in Grubbs olefin metathesis catalysis
Date of submission: April 2011
Current position: Assistant Professor, St. Joseph’s College, Devagiri, Calicut
Email: jomonmathew[at]devagiricollege.org
Sajith Dr. P. K. Sajith
Thesis title: Development of Quantitative Structure-Property Relationships for Predicting Mutual Trans Influence and Ligand Bond Dissociation Energies in Pd(II), Pt(II)and Hypervalent Iodine Complexes
Date of submission: August 2012
Current Position: Assistant Professor, Department of Chemistry, Farook College
Email: pksajisiv[at]gmail.com
Sayyed Dr. Fareed Bhasha Sayyed
Thesis title: Quantification and prediction of substituent effects in aromatic molecules and cation-pi complexes using molecular electrostatic potential
Date of submission: December 2012
Current position: Senior Research Scientist, Eli Lilly, Bangalore
Email: bashasayyed[at]gmail.com
Ajitha Dr. Ajitha M. J.
Thesis title: Density Functional theory studies on (S) -proline and NHC mediated organocatalytic reactions.
Date of submission: June 2013
Current position: Assistant Professor (on leave), Govt. of Kerala
Email: aji.john0[at]gmail.com
Sandhya Dr. Sandhya K. S.
Thesis title: Design and Study of Homogeneous Ru(II) Pincer Hydride and Octahedral Metal Hydride Complexes for Hydrogen Production from Water and Alcohol
Date of submission: January 2014
Current position: National Post-doctoral Fellow NPDF-SERB at University of Kerala
Email: sandhya[at]keralauniversity.ac.in
Neetha Dr. Neetha Mohan
Thesis title: Molecular electrostatics for probing hydrogen bonds, halogen bonds and lone pair-pi interactions and design of receptors for lone pair bearing molecules
Date of submission: March 2014
Current position: Patent Consultant, Banana IP Counsels, Bangalore
Email: neethamohan[at]gmail.com
Remya Dr. Remya. K.
Thesis title: DFT studies on the nature, strength and cooperativity of intermolecular interactions in dipolar organic molecules, polyynes and carbon rings
Date of submission: June 2016
Current position: Assistant Professor, Government Women’s Polytechnic College Malapparamba, Kozhikode
Email: remyaharitha[at]gmail.com
RemyaPR Dr. Remya P. R.
Thesis title: Density Functional Theory Studies on CC Bond Metathesis by Grubbs and Schrock Catalysts: Metal-Carbon Bonding, Mechanisms, and Metallacycles
Date of submission: January 2018
Current position: Post-doctoral Research Fellow at IISc, Bangalore
Email : remyapr[at]gmail.com
Della Dr. Della Therese Davis
Thesis title: Density Functional Theory Studies on Hydrogen Storage in Molecular Anions of Different Sizes and Shapes
Date of submission: May 2018
Current Position: Assistant Professor, Department of Chemistry, St. Joseph’s College (Autonomous), Irinjalakuda
Email: dellatherese[at]gmail.com
Rakhi Dr. Rakhi. R
Thesis title: DFT studies on ground and excited state properties of linear polyacene analogues and polycyclic aromatic hydrocarbons
Date of submission: July 2018
Current position: Assistant Professor on Contract, Mar Thoma college for women, Perumbavoor.
Email: rakhivalath[at]gmail.com
Anjali Dr. Anjali Bai
Thesis title: Predicting Activation Barrier, Reduction Potential and Fluorescence using Molecular Electrostatic Potential: Organic and Organometallic Systems
Date of submission: January 2019
Current position: Post-doctoral Research Fellow at National University of Singapore
Email: anjaliamutha[at]gmail.com
RemyaGS Dr. Remya G. S.
Thesis title: DFT studies on quantification of substituent effects and ligand modifications to tune the reactivity of transition metal complexes
Date of submission: August, 2020
Current position: Post-doctoral Research Fellow at King Abdullah University of Science and Technology (KAUST), Saudi Arabia
Email: remyajinju[at]gmail.com
Divya Dr. Divya Velayudhan V. V
Thesis title: Density Functional Theory Studies on D-pi-A Systems Used in Dye-Sensitized Solar Cells: Donor-Acceptor Effect, Spacer Effect, and Molecular Design Strategies
Date of submission: August 2021
Email: divyavelayudhanvv[at]gmail.com
Renjith Dr. Renjith Sasimohanan Pillai
Thesis title: Area of postdoctoral research: Design metal organic framework (MOF) for single step capture and conversion of CO2 at ambient conditions
Current position: Scientist D, Vikram Sarabhai Space Centre, Thiruvananthapuram, Kerala, India
Email: renjith.sasimohananpillai[at]christuniversity.in
Prabha Dr. Prabha Vadivelu
Thesis title: Area of postdoctoral research: Computational prediction of cyclometalated Ir III, RhIII and CoIII amido complexes to capture up to three CO2 molecules
Current position: Assistant professor, Central University of Tamil Nadu
Email: prabhav[at]cutn.ac.in
Group

Students

Bijina Ms. Bijina P V 
CSIR-SRF
bijinabalan6[at]gmail.com
Anila Ms. Anila Sebastian 
UGC-SRF
anilasebastian25[at]gmail.com
Anjali Ms. Anjali Krishna P K  
UGC-SRF
anjalikrishnapk94[at]gmail.com
Krishna Priya Ms. Krishnapriya V U 
KSCSTE-SRF
krishnapriyakrishnavu[at]gmail.com
Haritha Ms. Haritha M 
Project Associate 1
haritha95mambatta[at]gmail.com
Saumini Ms. Saumini Mathew 
Senior Technical Officer & Research Fellow
sauminimathew[at]gmail.com
Ramya Ms. Ramya P K 
CSIR-JRF
ramyapillankatta[at]gmail.com
Arathi Ms. Arathi Krishnan P V 
INSPIRE-JRF
arathikrishnan68[at]gmail.com
Thushara

Ms. Thushara R 
INSPIRE-JRF
thushara1296[at]gmail.com
Research Interest

Organometallics

  • Homogeneous Catalysis
  • CC and CN bond metathesis
  • CC and CH bond activations
  • Agostic Bonds
  • Rational design of new catalysts

Inorganic and Bioinorganic

  • Ligands in transition metal chemistry
  • New ligands
  • Trans influence
  • Unusual metal carbon bonding and new materials
  • Reaction mechanisms

Organic and Bioorganic

  • Metal-catalyzed organic reactions
  • Organocatalysis
  • Cycloaddition reactions
  • Multicomponent reactions
  • Stereoselective reactions
  • Carcinogenic activity of aromatic compounds

Chemical Phenomena

  • Nature of chemical bond
  • Aromaticity
  • Substituent effects
  • Steric effects, Trans effects
  • Lone pair effects