IMG

Comparative study of the efficiency of Au, Ag, Pd and Pt based mono and bimetallic trimer clusters for the CO oxidation reaction
Saumya Gurtu, Sandhya Rai, Deva Priyakumar U
Journal of Indian Chemical Society, JICS, 2019
Core Rank : - Google Rank :34
Model molecules to classify CH⋯ O hydrogen-bonds
Amol M. Vibhute, Deva Priyakumar U, Arthi Ravi, Kana M. Sureshan
Chemical communications, C C, 2018
Core Rank : - Google Rank :104
Quantum mechanical investigation of the nature of nucleobase-urea stacking interaction, a crucial driving force in RNA unfolding in aqueous urea
Nitish Alodia, Jaganade Tanashree Santosh, Deva Priyakumar U
Journal of Chemical Sciences, JCS, 2018
Google Rank :20
Temperature dependence of the stability of ion pair interactions, and its implications on the thermostability of proteins from thermophiles
Bikkina Swetha, Agastya P Bhati, Siladitya Padhi, Deva Priyakumar U
Journal of Chemical Sciences, JCS, 2017
Google Rank :20
Ability of density functional theory methods to accurately model the reaction energy pathways of the oxidation of CO on gold cluster: A benchmark study
Saumya Gurtu, Sandhya Rai, Masahiro Ehara, Deva Priyakumar U
Theoretical Chemistry Accounts, TCA, 2016
Core Rank : - Google Rank :25
Dynamic ligand-based pharmacophore modeling and virtual screening to identify mycobacterial cyclopropane synthase inhibitors
Chinmayee Choudhury, Deva Priyakumar U, G Narahari Sastr
Journal of Chemical Sciences, JCS, 2016
Google Rank :20
Structure, interaction, and dynamics of Au/Pd bimetallic nanoalloys dispersed in aqueous ethylpyrrolidone, a monomeric moiety of polyvinylpyrrolidone
Aditi Gupta, Bundet Boekfa, Hidehiro Sakurai, Masahiro Ehara, Deva Priyakumar U
The Journal of Physical Chemistry C, JPCC, 2016
Core Rank : - Google Rank :87
Urea–aromatic stacking and concerted urea transport: conserved mechanisms in urea transporters revealed by molecular dynamics
Siladitya Padhi, Deva Priyakumar U
Journal of Chemical Theory and Computation, JCTC, 2016
Core Rank : - Google Rank :86
Binding to Gold Nanocluster Alters the Hydrogen Bonding Interactions and Electronic Properties of Canonical and Size Expanded DNA Base Pairs
Sandhya Rai, Harjinder Singh, Deva Priyakumar U
RSC Advances, RSCA, 2015
Core Rank : - Google Rank :117
Double zipper helical assembly of deoxyoligonucleotides: mutual templating and chiral imprinting to form hybrid DNA ensembles
Nagarjun Narayanaswamy, Suresh Gorle, Deva Priyakumar U, T. Govindaraju
Chemical communications, C C, 2015
Core Rank : - Google Rank :104