Vibronic coupling in the energetically six lowest electronic states of oxirane radical cation
VJ Rani, AK Kanakati, S Mahapatra - The Journal of Chemical Physics, 2024 - pubs.aip.org
Multi-dimensional quantum mechanical simulations are carried out to understand the multi-
state and multi-mode vibronic interactions in the first six low-lying viz., X ̃ 2 B 1, A ̃ 2 A 1, B …
state and multi-mode vibronic interactions in the first six low-lying viz., X ̃ 2 B 1, A ̃ 2 A 1, B …
Photoionization of aziridine: Nonadiabatic dynamics of the first six low-lying electronic states of the aziridine radical cation
VJ Rani, AK Kanakati, S Mahapatra - The Journal of Chemical Physics, 2024 - pubs.aip.org
In this article, the theoretical photoionization spectroscopy of the aziridine (C 2 H 5 N)
molecule is investigated. To start with, we have optimized the geometry of this molecule at …
molecule is investigated. To start with, we have optimized the geometry of this molecule at …
[PDF][PDF] Theoretical studies of multi-state and multi-mode dynamics of polyatomic molecular systems
AK Kanakati - 2022 - chemistry.uohyd.ac.in
“Theoretical studies of multi-state and multi-mode dynamics of polyatomic molecules” is a
topic of current interest, covering many essential topics in modern theoretical chemistry. It is …
topic of current interest, covering many essential topics in modern theoretical chemistry. It is …