General Formalism of Vibronic Hamiltonians for Tetrahedral and Octahedral Systems: Problems That Involve T, E States and t, e Vibrations
T Zeng, RJ Hickman, A Kadri… - Journal of Chemical Theory …, 2017 - ACS Publications
We derive expansion formulas up to arbitrary order in vibrational coordinates for the
tetrahedral and octahedral vibronic Hamiltonians that involve T and E states, and t and e …
tetrahedral and octahedral vibronic Hamiltonians that involve T and E states, and t and e …
On the rearrangement and dissociation mechanism of SiH4+ in its triply-degenerate ground state
T Mondal, AJC Varandas - The Journal of Chemical Physics, 2024 - pubs.aip.org
An ab initio molecular orbital study has been performed to explore the structural
rearrangement and dissociation of SiH 4+ radical cation at the X ̃ 2 T 2 ground electronic …
rearrangement and dissociation of SiH 4+ radical cation at the X ̃ 2 T 2 ground electronic …
On the higher-order T 2⊗(e+ t 2) Jahn–Teller coupling effects in the photodetachment spectrum of the alanate anion (AlH 4−)
T Mondal - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
The static and dynamic aspects of the T2⊗(e+ t2) Jahn–Teller coupling effects in the 2T2
electronic state of the AlH4 radical are investigated theoretically by probing the first …
electronic state of the AlH4 radical are investigated theoretically by probing the first …
The Jahn–Teller effect in the ground electronic state of the tetrafluoromethane cation before dissociation: a promoter of the anisotropic fragmentation
S Sen, T Mondal - Molecular Physics, 2019 - Taylor & Francis
The role of multimode T 1⊗(e+ t 2) Jahn–Teller coupling effect on the anisotropic
fragmentation of CF 4+ in its X~ 2 T 1 electronic state is investigated theoretically via an ab …
fragmentation of CF 4+ in its X~ 2 T 1 electronic state is investigated theoretically via an ab …
Quadratic to higher-order Jahn-Teller coupling effects and subfemtosecond proton dynamics in tetrahedral systems
T Mondal - amdis.iaea.org
Neutral Methane and neopentane, and negatively charged alanate anion are having Td
equilibrium structure in ground state. Ionization of an electron from their highest occupied …
equilibrium structure in ground state. Ionization of an electron from their highest occupied …