Rotational excitation of CO2 induced by He: New potential energy surface and scattering calculations

A Godard Palluet, F Thibault, F Lique - The Journal of Chemical …, 2022 - pubs.aip.org
The CO 2 molecule is of great interest for astrophysical studies since it can be found in a
large variety of astrophysical media where it interacts with the dominant neutral species …

Quenching transitions for the rovibrational transitions of water: Ortho-H2O in collision with ortho-and para-H2

L Wiesenfeld - The Journal of Chemical Physics, 2022 - pubs.aip.org
We present here the first full computation of the rovibrational quenching of a polyatomic
molecule (water) by a rotating molecular projectile (H 2). The computation is performed for …

[HTML][HTML] State-to-state rovibrational transition rates for CO2 in the bend mode in collisions with He atoms

T Selim, A Van der Avoird… - The Journal of Chemical …, 2023 - pubs.aip.org
Modeling environments that are not in local thermal equilibrium, such as protoplanetary
disks or planetary atmospheres, with molecular spectroscopic data from space telescopes …

[HTML][HTML] Efficient computational methods for rovibrational transition rates in molecular collisions

T Selim, A van der Avoird… - The Journal of Chemical …, 2022 - pubs.aip.org
Astrophysical modeling of processes in environments that are not in local thermal
equilibrium requires the knowledge of state-to-state rate coefficients of rovibrational …