| A theoretical study on interaction of proline with gold cluster S Rai, NV Suresh Kumar, H Singh Bulletin of Materials Science 35, 291-295, 2012 | 41 | 2012 |
| Peptidomimetics with tunable tertiary amide bond containing substituted β-proline and β-homoproline TKC Sandip Basu, Pancham S Kandiyal, N. V. Suresh Kumar, Harjinder Singh ... Tetrahedron 70 (6), 1169-1175, 2014 | 16 | 2014 |
| An APT charge based descriptor for atomic level description of chemical Raman enhancement by adsorption of 4-Mercaptopyridine on semiconducting nanoclusters: A theoretical study NVS Kumar, H Singh Vibrational Spectroscopy 107, 103019, 2020 | 6 | 2020 |
| Influence of the Effect of the Number, Nature and Position of Methyl Posttranscriptional Modifications on Nucleobase Stacking in RNA PS Deepika Kagra, Amanpreet Singh Mahmi, N. V. Suresh Kumar, Preethi Seelam ... ChemPhysChem, 2021 | 5 | 2021 |
| Density Functional Theory Based Study on Cis–Trans Isomerism of the Amide Bond in Homodimers of β2,3- and β3-Substituted Homoproline NV Suresh Kumar, H Singh The Journal of Physical Chemistry A 118 (11), 2120-2137, 2014 | 5 | 2014 |
| Preferential mode of cyclization of tetrahydrofuran amino acids containing peptides: some theoretical insights TKC N. V. Suresh Kumar, Purshotam Sharma, Harjinder Singh, Dipankar Koley ... Journal of Physical Organic Chemistry 23 (3), 238-245, 2010 | 5 | 2010 |
| A reaction force perspective of a model amide bond formation reaction VSK Neelamraju, T Jaganade Computational and Theoretical Chemistry, 2019 | 4 | 2019 |
| Effect of ZnO nanoparticles on structure and magnetic properties of Bi2O3-B2O3: Cr2O3 glasses LS Rao, S Hussain, A Navalika, KA Prabha, NVS Kumar, BC Rao Materialstoday: Proceedings 92 (2), 886-891, 2023 | 3 | 2023 |
| Theoretical insights into interaction energy, IR intensity and Raman activity enhancements of H2O adsorbed on Mg containing Zn3O3 nanoclusters: A computational study NVS Kumar, LS Rao Journal of Computational and Theoretical Chemistry 1212, 113708, 2022 | 3 | 2022 |
| Surface enhanced Raman scattering of neutral and zwitterionic α- and β-Proline monomers adsorbed on Au3 cluster: A DFT study NVS Kumar Vibrational Spectroscopy, 2018 | 2 | 2018 |
| Theoretical and experimental studies on solubility and reactivity behavior of lysergol, elymoclavine, and dihydrolysergol KT Mehak Rohilla, Neetu Goel, Tej Vir Singh, P. Venugopalan, N. V. Suresh Kumar International Journal of Quantum Chemistry 113 (10), 1427-1435, 2013 | 2 | 2013 |
| Preferential heterochiral cyclic trimerization of 5-(aminoethyl)-2-furancarboxylic acid (AEFC) driven by non-covalent interactions NVS Kumar, H Singh, KK Pulukuri, TK Chakraborty Journal of Molecular Graphics and Modelling 38, 13-25, 2012 | 2 | 2012 |
| Stereochemical control in the structures of linear δ,α-hybrid tripeptides containing tetrahydrofuran amino acids HS T. K. Chakraborty, N. V. Suresh Kumar, Saumya Roy, S. K. Dutta, A. C ... Journal of Physical Organic Chemistry 24 (8), 720-731, 2011 | 2 | 2011 |
| Mg-Containing Zn3O3 Structures for Detection of CO2: A DFT Study on CHEM Effects of SERS and Electronic Properties NVS Kumar, S Sharma, LS Rao J. Phys. Chem. A 127 (34), 7070-7079, 2023 | 1 | 2023 |
| A DFT study on the role of long range correlation interaction and solvent effects in homochiral and heterochiral cyclic trimerization of imidazole based heterocyclic amino acids NVS Kumar Journal of Molecular Modeling 22 (6), 1-7, 2016 | 1 | 2016 |
| Inter-versus intra-molecular cyclization of tripeptides containing tetrahydrofuran amino acids: a density functional theory study on kinetic control NVS Kumar, UD Priyakumar, H Singh, S Roy, TK Chakraborty Journal of molecular modeling 18, 3181-3197, 2012 | 1 | 2012 |
| A DFT study on reaction force approach of ammonia catalysed amide bond formation reaction between ammonia and formic acid NVS Kumar J. Mol. Graph. Model. 94, 107478, 2020 | | 2020 |
Sandhya RaiResearcher at Shell Technology Center, BengaluruBestätigte E-Mail-Adresse bei shell.com
