Cherumuttathu H. Suresh

According to our database, Cherumuttathu H. Suresh authored at least 17 papers between 2008 and 2024.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of six.

2024

Unraveling pnicogen bonding cooperativity: Insights from molecular electrostatic potential analysis.

Vilakkathala U. Krishnapriya, Cherumuttathu H. Suresh

J. Comput. Chem., March, 2024

2023

Fulleride-metal η⁵ sandwich and multi-decker sandwich complexes: A DFT prediction.

Sebastian Anila, Cherumuttathu H. Suresh

J. Comput. Chem., January, 2023

Hydrogen bonds of OCNH motif in rings in drugs: A molecular electrostatic potential analysis.

Mambatta Haritha, Cherumuttathu H. Suresh

J. Comput. Chem., 2023

2022

Hydration patterns of rings in drugs and relationship to lipophilicity: A DFT study.

Mambatta Haritha, Cherumuttathu H. Suresh

J. Comput. Chem., 2022

2020

Absorption and emission properties of 5-phenyl tris(8-hydroxyquinolinato) M(III) complexes (M = Al, Ga, In) and correlations with molecular electrostatic potential.

Bai Amutha Anjali, Cherumuttathu H. Suresh

J. Comput. Chem., 2020

2018

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

Cherumuttathu H. Suresh, Neetha Mohan, Therese Davis Della

J. Comput. Chem., 2018

Electrostatics for probing lone pairs and their interactions.

Padinjare Veetil Bijina, Cherumuttathu H. Suresh, Shridhar R. Gadre

J. Comput. Chem., 2018

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

Bai Amutha Anjali, Cherumuttathu H. Suresh

J. Comput. Chem., 2018

2017

Theoretical evidence for bond stretch isomerism in Grubbs olefin metathesis.

Premaja R. Remya, Cherumuttathu H. Suresh

J. Comput. Chem., 2017

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.

Ramachandran Rakhi, Cherumuttathu H. Suresh

J. Comput. Chem., 2017

2014

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

Karunakaran Remya, Cherumuttathu H. Suresh

J. Comput. Chem., 2014

2013

Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using gaussian09.

Karunakaran Remya, Cherumuttathu H. Suresh

J. Comput. Chem., 2013

2011

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

Manjaly J. Ajitha, Cherumuttathu H. Suresh

J. Comput. Chem., 2011

2010

Comparison of aromatic NH***pi, OH***pi, and CH***pi interactions of alanine using MP2, CCSD, and DFT methods.

Neetha Mohan, Kunduchi P. Vijayalakshmi, Nobuaki Koga, Cherumuttathu H. Suresh

J. Comput. Chem., 2010

2009

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

Cherumuttathu H. Suresh, Neetha Mohan, K. Periya Vijayalakshmi, Renjumon George, Janice M. Mathew

J. Comput. Chem., 2009

2008

Theoretical studies on the carcinogenicity of polycyclic aromatic hydrocarbons.

K. Periya Vijayalakshmi, Cherumuttathu H. Suresh

J. Comput. Chem., 2008

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

Cherumuttathu H. Suresh, Aswathy Mary Vargheese, K. Periya Vijayalakshmi, Neetha Mohan, Nobuaki Koga

J. Comput. Chem., 2008