| Electron-correlation based externally predictive QSARs for mutagenicity of nitrated-PAHs in Salmonella typhimurium TA100 Reenu, Vikas Ecotoxicology and Environmental Safety 101, 42-50, 2014 | 27 | 2014 |
| Does electron-correlation has any role in the quantitative structure–activity relationships? Vikas, Reenu, Chayawan Journal of Molecular Graphics and Modelling 42, 7-16, 2013 | 23 | 2013 |
| Externally predictive single-descriptor based QSPRs for physico-chemical properties of polychlorinated-naphthalenes: Exploring relationships of log SW, log KOA, and log KOW … Chayawan, Vikas Journal of Hazardous Materials 296, 68-81, 2015 | 22 | 2015 |
| Exploring Water Catalysis in the Reaction of Thioformic Acid with Hydroxyl Radical: A Global Reaction Route Mapping Perspective G Kaur, Vikas The Journal of Physical Chemistry A 118 (23), 4019-4029, 2014 | 18 | 2014 |
| Global reaction route mapping of isomerization pathways of exotic C6H molecular species G Kaur, Vikas The Journal of chemical physics 139 (22), 224311, 2013 | 18 | 2013 |
| Externally predictive quantitative modeling of supercooled liquid vapor pressure of polychlorinated-naphthalenes through electron-correlation based quantum-mechanical descriptors. V Vikas, C Chayawan | 17 | 2013 |
| Mechanisms for the inversion of chirality: Global reaction route mapping of stereochemical pathways in a probable chiral extraterrestrial molecule, 2-aminopropionitrile R Kaur, Vikas The Journal of chemical physics 142 (7), 074307, 2015 | 15 | 2015 |
| On the mechanism of intramolecular nitrogen‐atom hopping in the carbon chain of C6N radical: A Plausible 3c− 4e crossover π̂ Long‐Bond G Kaur, Vikas Journal of computational chemistry 35 (21), 1568-1576, 2014 | 15 | 2014 |
| Dispersibility of carbon nanotubes in organic solvents: do we really have predictive models? S Lata, Vikas Journal of Nanoparticle Research 19, 1-13, 2017 | 14 | 2017 |
| Quantum-mechanical parameters for the risk assessment of multi-walled carbon-nanotubes: a study using adsorption of probe compounds and its application to biomolecules. C Chayawan, V Vikas | 14 | 2016 |
| Single-descriptor based quantum-chemical QSPRs for physico-chemical properties of polychlorinated-dibenzo-p-dioxins and -dibenzo-furans (PCDD/Fs): exploring … V Vikas, C Chayawan | 13 | 2015 |
| Role of exchange and correlation in the real external prediction of mutagenicity: performance of hybrid and meta-hybrid exchange–correlation functionals Reenu, Vikas RSC Advances 5 (37), 29238-29251, 2015 | 13 | 2015 |
| The mechanism of tautomerisation and geometric isomerisation in thioformic acid and its water complexes: exploring chemical pathways for water migration G Kaur, Vikas Physical Chemistry Chemical Physics 16 (44), 24401-24416, 2014 | 13 | 2014 |
| Ground‐state electronic energies and densities of atomic systems in strong magnetic fields through a time‐dependent hydrodynamical equation Vikas, BM Deb International Journal of Quantum Chemistry 97 (2), 701-712, 2004 | 13 | 2004 |
| Electron in one-dimensional symmetric and asymmetric double-well potentials under intense/superintense laser fields: A numerical study based on time-dependent Schrödinger equation A Wadehra, Vikas, BM Deb The Journal of chemical physics 119, 6620, 2003 | 13 | 2003 |
| Mechanisms for d–l interconversion in serine G Kaur, Vikas Tetrahedron Letters 56 (1), 142-145, 2015 | 11 | 2015 |
| Gas-phase stereoinversion in aspartic acid: reaction pathways, computational spectroscopic analysis, and its astrophysical relevance R Kaur, N Rani, Vikas ACS omega 3 (10), 14431-14447, 2018 | 8 | 2018 |
| Mechanism and Kinetics of the Gas-Phase Stereoinversion in Proteinogenic l-Threonine and Its Astrophysical Relevance N Rani, Vikas The Journal of Physical Chemistry A 122 (38), 7572-7586, 2018 | 8 | 2018 |
| Conflict in the Mechanism and Kinetics of the Barrierless Reaction between SH and NO2 Radicals R Kaur, Vikas The Journal of Physical Chemistry A 122 (8), 1926-1937, 2018 | 8 | 2018 |
| Exploring the role of quantum‐mechanical descriptors in the concentration‐dependent adsorption of aromatic organic compounds by multiwalled carbon nanotubes S Lata, Vikas International Journal of Quantum Chemistry 119 (5), e25825, 2019 | 7 | 2019 |
