Cherumuttathu H. Suresh

18 papers Journal 18

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Ladderenes as Covalently Condensed Acetylene: A DFT Investigation of Gold(I)-Catalyzed Mechanism, Substituent Effects and Energy Storage Potential. J. Comput. Chem. Ramakrishnan Thushara, Cherumuttathu H. Suresh
2024	J	`jnl`	Unraveling pnicogen bonding cooperativity: Insights from molecular electrostatic potential analysis. J. Comput. Chem. Vilakkathala U. Krishnapriya, Cherumuttathu H. Suresh
2023	J	`jnl`	Fulleride-metal η J. Comput. Chem. Sebastian Anila, Cherumuttathu H. Suresh
2023	J	`jnl`	Hydrogen bonds of OCNH motif in rings in drugs: A molecular electrostatic potential analysis. J. Comput. Chem. Mambatta Haritha, Cherumuttathu H. Suresh
2022	J	`jnl`	Hydration patterns of rings in drugs and relationship to lipophilicity: A DFT study. J. Comput. Chem. Mambatta Haritha, Cherumuttathu H. Suresh
2020	J	`jnl`	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. Bai Amutha Anjali, Cherumuttathu H. Suresh
2018	J	`jnl`	A Noncovalent Binding Strategy to Capture Noble Gases, Hydrogen and Nitrogen. J. Comput. Chem. Cherumuttathu H. Suresh, Neetha Mohan, Therese Davis Della
2018	J	`jnl`	Electrostatics for probing lone pairs and their interactions. J. Comput. Chem. Padinjare Veetil Bijina, Cherumuttathu H. Suresh, Shridhar R. Gadre
2018	J	`jnl`	Predicting reduction potentials of 1, 3, 6-triphenyl fulvenes using molecular electrostatic potential analysis of substituent effects. J. Comput. Chem. Bai Amutha Anjali, Cherumuttathu H. Suresh
2017	J	`jnl`	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. J. Comput. Chem. Ramachandran Rakhi, Cherumuttathu H. Suresh
2017	J	`jnl`	Theoretical evidence for bond stretch isomerism in Grubbs olefin metathesis. J. Comput. Chem. Premaja R. Remya, Cherumuttathu H. Suresh
2014	J	`jnl`	Cooperativity and cluster growth patterns in acetonitrile: A DFT study. J. Comput. Chem. Karunakaran Remya, Cherumuttathu H. Suresh
2013	J	`jnl`	Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using gaussian09. J. Comput. Chem. Karunakaran Remya, Cherumuttathu H. Suresh
2011	J	`jnl`	Role of stereoelectronic features of imine and enamine in ( J. Comput. Chem. Manjaly J. Ajitha, Cherumuttathu H. Suresh
2010	J	`jnl`	Comparison of aromatic NH*pi, OHpi, and CH**pi interactions of alanine using MP2, CCSD, and DFT methods. J. Comput. Chem. Neetha Mohan, Kunduchi P. Vijayalakshmi, Nobuaki Koga, Cherumuttathu H. Suresh
2009	J	`jnl`	Typical aromatic noncovalent interactions in proteins: A theoretical study using phenylalanine. J. Comput. Chem. Cherumuttathu H. Suresh, Neetha Mohan, K. Periya Vijayalakshmi, Renjumon George, Janice M. Mathew
2008	J	`jnl`	Role of structural water molecule in HIV protease-inhibitor complexes: A QM/MM study. J. Comput. Chem. Cherumuttathu H. Suresh, Aswathy Mary Vargheese, K. Periya Vijayalakshmi, Neetha Mohan, Nobuaki Koga
2008	J	`jnl`	Theoretical studies on the carcinogenicity of polycyclic aromatic hydrocarbons. J. Comput. Chem. K. Periya Vijayalakshmi, Cherumuttathu H. Suresh