| Molecular tailoring approach for estimating individual intermolecular interaction energies in benzene clusters MB Ahirwar, ND Gurav, SR Gadre, MM Deshmukh The Journal of Physical Chemistry A 125 (28), 6131-6140, 2021 | 19 | 2021 |
| Ring-polymer instanton tunneling splittings of tropolone and isotopomers using a δ-machine learned ccsd (t) potential: Theory and experiment shake hands A Nandi, G Laude, SS Khire, ND Gurav, C Qu, R Conte, Q Yu, S Li, ... Journal of the American Chemical Society 145 (17), 9655-9664, 2023 | 15 | 2023 |
| Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clusters MB Ahirwar, ND Gurav, SR Gadre, MM Deshmukh Physical Chemistry Chemical Physics 24 (25), 15462-15473, 2022 | 12 | 2022 |
| Enabling rapid and accurate construction of CCSD (T)-level potential energy surface of large molecules using molecular tailoring approach SS Khire, ND Gurav, A Nandi, SR Gadre The Journal of Physical Chemistry A 126 (8), 1458-1464, 2022 | 10 | 2022 |
| Electronic Stark effect for a single molecule: Theoretical UV response ND Gurav, SP Gejji, RK Pathak Computational and Theoretical Chemistry 1138, 23-38, 2018 | 10 | 2018 |
| Encaged molecules in external electric fields: A molecular “tug-of-war” ND Gurav, SP Gejji, LJ Bartolotti, RK Pathak The Journal of Chemical Physics 145 (7), 2016 | 8 | 2016 |
| CH3OH⋯(H2O) n [n= 1-4] clusters in external electric fields ND Gurav, AD Kulkarni, SP Gejji, RK Pathak The Journal of Chemical Physics 142 (21), 2015 | 8 | 2015 |
| Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach SS Khire, N Gattadahalli, ND Gurav, A Kumar, SR Gadre ChemPhysChem 24 (10), e202200784, 2023 | 4 | 2023 |
| Theoretical investigations on interactions among molecules hydrogen bonded water clusters and their response to externally applied electric fields ND Gurav Pune, 2018 | | 2018 |
| Exotic'Electron Spectroscopy of Molecules in Electric Fields R Pathak, N Gurav, S Gejji APS March Meeting Abstracts 2017, M1. 341, 2017 | | 2017 |
| Encaged molecules in external electric fields: a moleculartug-of-war' R Pathak, N Gurav, S Gejji, L Bartolotti APS March Meeting Abstracts 2016, T1. 046, 2016 | | 2016 |
| Supporting Information CH3OH···(H2O) n [n= 1-4] clusters in external electric fields ND Gurav, AD Kulkarni, SP Gejji, RK Pathak | | |
