Electrostatic Potential Topology for Probing Molecular Structure, Bonding and Reactivity von Gadre, Shridhar R., Suresh, Cherumuttathu H., Mohan, Neetha

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Correlation and Prediction of Redox Potentials of Hydrogen Evolution Mononuclear Cobalt Catalysts via Molecular Electrostatic Potential: A DFT Study von Anjali, Bai Amutha, Sayyed, Fareed Bhasha, Suresh, Cherumuttathu H

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Hidden Dicarbene Nature of Acetylenes and Captodative Bonding on Carbon von Bijina, Padinjare Veetil, Suresh, Cherumuttathu H.

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Carbon rings: a DFT study on geometry, aromaticity, intermolecular carbon–carbon interactions and stability von Remya, Karunakaran, Suresh, Cherumuttathu H.

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Molecular Electrostatic Potential Approach to Determining the Steric Effect of Phosphine Ligands in Organometallic Chemistry von Suresh, Cherumuttathu H

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28π Non‐Fused Hexaphyrin: Synthesis, Protonation Triggered Möbius Aromaticity and Structural Properties von Dash, Syamasrit, Ghosh, Arindam, Bandyopadhyay, Suritra, Kalita, Pankaj, Vishwakarma, Rampal, Srinivasan, A., Suresh, Cherumuttathu H., Chandrashekar, Tavarekere K.

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Non-covalent intermolecular carbon-carbon interactions in polyynes von Remya, Karunakaran, Suresh, Cherumuttathu H

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Quantification of the Trans Influence in Hypervalent Iodine Complexes von Sajith, P. K, Suresh, Cherumuttathu H

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Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity von Suresh, Cherumuttathu H., Remya, Geetha S., Anjalikrishna, Puthannur K.

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An Unsymmetrical Squaraine‐Dye‐Based Chemical Platform for Multiple Analyte Recognition von Philips, Divya S., Ghosh, Samrat, Sudheesh, Karivachery V., Suresh, Cherumuttathu H., Ajayaghosh, Ayyappanpillai

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Hydrogen bonds of OCNH motif in rings in drugs: A molecular electrostatic potential analysis von Haritha, Mambatta, Suresh, Cherumuttathu H.

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Designing metal hydride complexes for water splitting reactions: a molecular electrostatic potential approach von Sandhya, K S, Suresh, Cherumuttathu H

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Molecular Electrostatic Potential Reorganization Theory to Describe Positive Cooperativity in Noncovalent Trimer Complexes von Bijina, Padinjare Veetil, Suresh, Cherumuttathu H

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Polyanionic cyano-fullerides for CO2 capture: a DFT prediction von Sebastian Anila, Suresh, Cherumuttathu H

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Interpreting Oxidative Addition of Ph–X (X = CH3, F, Cl, and Br) to Monoligated Pd(0) Catalysts Using Molecular Electrostatic Potential von Anjali, Bai Amutha, Suresh, Cherumuttathu H

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DPPH Radical Scavenging Activity of Tricin and Its Conjugates Isolated from “Njavara” Rice Bran: A Density Functional Theory Study von Ajitha, Manjaly J, Mohanlal, Smitha, Suresh, Cherumuttathu H, Jayalekshmy, Ananthasankaran

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The fundamental nature and importance of electrostatic potential in hydrogen bond formation: a case study of heterocycles frequently observed in drugs von Haritha, Mambatta, Suresh, Cherumuttathu H

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Imidazolium-fulleride ionic liquids - a DFT prediction von Anila, Sebastian, Suresh, Cherumuttathu H

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Endo- and exohedral chloro-fulleride as η5 ligands: a DFT study on the first-row transition metal complexes von Anila, Sebastian, Suresh, Cherumuttathu H.

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Polycyclic Aromatic Hydrocarbons as Anode Materials in Lithium-Ion Batteries: A DFT Study von Ramya, Pilankatta K., Suresh, Cherumuttathu H.

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