Dr.Suresh C H

Dr.Suresh C H
Chief Scientist
sureshch@niist.res.in
0471-2515381
http://niist.irins.org/profile/64935

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 5^th and 7^th 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

	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
	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
	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
	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
	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
	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
	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
	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
	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
	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
	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
	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
	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
	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
	Dr. Prabha Vadivelu Thesis title: Area of postdoctoral research: Computational prediction of cyclometalated Ir ^III, Rh^III and Co^III 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

	Ms. Bijina P V CSIR-SRF bijinabalan6[at]gmail.com
	Ms. Anila Sebastian UGC-SRF anilasebastian25[at]gmail.com
	Ms. Anjali Krishna P K UGC-SRF anjalikrishnapk94[at]gmail.com
	Ms. Krishnapriya V U KSCSTE-SRF krishnapriyakrishnavu[at]gmail.com
	Ms. Haritha M Project Associate 1 haritha95mambatta[at]gmail.com
	Ms. Saumini Mathew Senior Technical Officer & Research Fellow sauminimathew[at]gmail.com
	Ms. Ramya P K CSIR-JRF ramyapillankatta[at]gmail.com
	Ms. Arathi Krishnan P V INSPIRE-JRF arathikrishnan68[at]gmail.com
	Ms. Thushara R INSPIRE-JRF thushara1296[at]gmail.com