Cherumuttathu H. Suresh

Publication Activity (10 Years)

Years Active: 2008-2024
Publications (10 Years): 10

Top Topics

Top Venues

J. Comput. Chem.

Publications

Vilakkathala U. Krishnapriya, Cherumuttathu H. Suresh
Unraveling pnicogen bonding cooperativity: Insights from molecular electrostatic potential analysis. J. Comput. Chem. 45 (8) (2024)
Mambatta Haritha, Cherumuttathu H. Suresh
Hydrogen bonds of OCNH motif in rings in drugs: A molecular electrostatic potential analysis. J. Comput. Chem. 44 (17) (2023)
Sebastian Anila, Cherumuttathu H. Suresh
sandwich and multi-decker sandwich complexes: A DFT prediction. J. Comput. Chem. 44 (3) (2023)
Mambatta Haritha, Cherumuttathu H. Suresh
Hydration patterns of rings in drugs and relationship to lipophilicity: A DFT study. J. Comput. Chem. 43 (7) (2022)
Bai Amutha Anjali, Cherumuttathu H. Suresh
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 (16) (2020)
Cherumuttathu H. Suresh, Neetha Mohan, Therese Davis Della
A Noncovalent Binding Strategy to Capture Noble Gases, Hydrogen and Nitrogen. J. Comput. Chem. 39 (15) (2018)
Bai Amutha Anjali, Cherumuttathu H. Suresh
Predicting reduction potentials of 1, 3, 6-triphenyl fulvenes using molecular electrostatic potential analysis of substituent effects. J. Comput. Chem. 39 (15) (2018)
Padinjare Veetil Bijina, Cherumuttathu H. Suresh, Shridhar R. Gadre
Electrostatics for probing lone pairs and their interactions. J. Comput. Chem. 39 (9) (2018)
Ramachandran Rakhi, Cherumuttathu H. Suresh
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. 38 (26) (2017)
Premaja R. Remya, Cherumuttathu H. Suresh
Theoretical evidence for bond stretch isomerism in Grubbs olefin metathesis. J. Comput. Chem. 38 (19) (2017)
Karunakaran Remya, Cherumuttathu H. Suresh
Cooperativity and cluster growth patterns in acetonitrile: A DFT study. J. Comput. Chem. 35 (12) (2014)
Karunakaran Remya, Cherumuttathu H. Suresh
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. 34 (15) (2013)
Manjaly J. Ajitha, Cherumuttathu H. Suresh
study. J. Comput. Chem. 32 (9) (2011)
Neetha Mohan, Kunduchi P. Vijayalakshmi, Nobuaki Koga, Cherumuttathu H. Suresh
Comparison of aromatic NH***pi, OH***pi, and CH***pi interactions of alanine using MP2, CCSD, and DFT methods. J. Comput. Chem. 31 (16) (2010)
Cherumuttathu H. Suresh, Neetha Mohan, K. Periya Vijayalakshmi, Renjumon George, Janice M. Mathew
Typical aromatic noncovalent interactions in proteins: A theoretical study using phenylalanine. J. Comput. Chem. 30 (9) (2009)
K. Periya Vijayalakshmi, Cherumuttathu H. Suresh
Theoretical studies on the carcinogenicity of polycyclic aromatic hydrocarbons. J. Comput. Chem. 29 (11) (2008)
Cherumuttathu H. Suresh, Aswathy Mary Vargheese, K. Periya Vijayalakshmi, Neetha Mohan, Nobuaki Koga
Role of structural water molecule in HIV protease-inhibitor complexes: A QM/MM study. J. Comput. Chem. 29 (11) (2008)