| Transition-metal-free C–H hydroxylation of carbonyl compounds MB Chaudhari, Y Sutar, S Malpathak, A Hazra, B Gnanaprakasam Organic letters 19 (13), 3628-3631, 2017 | 83 | 2017 |
| Direct dynamics simulations of the unimolecular dissociation of dioxetane: Probing the non-RRKM dynamics S Malpathak, X Ma, WL Hase The Journal of Chemical Physics 148 (16), 2018 | 12 | 2018 |
| A semiclassical framework for mixed quantum classical dynamics S Malpathak, MS Church, N Ananth The Journal of Physical Chemistry A 126 (37), 6359-6375, 2022 | 11 | 2022 |
| Unimolecular rate constants versus energy and pressure as a convolution of unimolecular lifetime and collisional deactivation probabilities. Analyses of intrinsic non-RRKM dynamics S Malpathak, WL Hase The Journal of Physical Chemistry A 123 (10), 1923-1928, 2019 | 8 | 2019 |
| Addressing an instability in unrestricted density functional theory direct dynamics simulations S Malpathak, X Ma, WL Hase Journal of Computational Chemistry 40 (8), 933-936, 2019 | 4 | 2019 |
| Non-linear correlation functions and zero-point energy flow in mixed quantum–classical semiclassical dynamics S Malpathak, N Ananth The Journal of Chemical Physics 158 (10), 2023 | 3 | 2023 |
| Is CH3NC isomerization an intrinsic non-RRKM unimolecular reaction? B Jayee, S Malpathak, X Ma, WL Hase The Journal of Chemical Physics 151 (18), 2019 | 3 | 2019 |
| A Linearized Semiclassical Dynamics Study of the Multiquantum Vibrational Relaxation of NO Scattering from a Au (111) Surface S Malpathak, N Ananth The Journal of Physical Chemistry Letters 15 (3), 794-801, 2024 | | 2024 |
| Direct Dynamics Simulations of Unimolecular Dissociation of 1, 2-dioxetane S Malpathak | | 2018 |
Xinyou MaPostdoctoral Research Associate, Oak Ridge National LaboratoryVerified email at ornl.gov
