Full-dimensional quantum stereodynamics of the non-adiabatic quenching of OH(A2Σ+) by H2
Abstract The Born–Oppenheimer approximation, assuming separable nuclear and
electronic motion, is widely adopted for characterizing chemical reactions in a single …
electronic motion, is widely adopted for characterizing chemical reactions in a single …
Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A 2Σ+) by H2 Based on an Improved Full‐Dimensional Ab Initio Diabatic Potential …
S Han, AGS de Oliveira‐Filho, Y Shu… - …, 2022 - Wiley Online Library
We present a new full‐dimensional diabatic potential energy matrix (DPEM) for
electronically nonadiabatic collisions of OH (A 2Σ+) with H2, and we calculate the …
electronically nonadiabatic collisions of OH (A 2Σ+) with H2, and we calculate the …
Non-adiabatic quantum dynamics of the electronic quenching OH (A 2 Σ+)+ Kr
P Gamallo, A Zanchet, FJ Aoiz… - Physical Chemistry …, 2020 - pubs.rsc.org
We present the dynamics of the electronic quenching OH (A2Σ+)+ Kr (1S)→ OH (X2Π)+ Kr
(1S), with OH (A2Σ+) in the ground ro-vibrational state. This study relies on a new non …
(1S), with OH (A2Σ+) in the ground ro-vibrational state. This study relies on a new non …
Quantum dynamical study of rotational excitations in SiS (X 1Σ+) molecule by H collisions
B Anusuri - Heliyon, 2019 - cell.com
The knowledge of accurate rate coefficients for collisional excitation of molecules by the
abundant chemical species like He, H 2 and H is important in modeling the conditions of …
abundant chemical species like He, H 2 and H is important in modeling the conditions of …
Non-adiabatic quantum dynamics of the electronic quenching OH (A (2) sigma (+))+ Kr
P Gamallo Belmonte, A Zanchet, FJ Aoiz… - … Physics, 2020, vol. 22 …, 2020 - diposit.ub.edu
We present the dynamics of the electronic quenching OH (A2S+)+ Kr (1S)-OH (X2P)+ Kr
(1S), withOH (A2S+) in the ground ro-vibrational state. This study relies on a new non …
(1S), withOH (A2S+) in the ground ro-vibrational state. This study relies on a new non …