A rigid bender study of the bending relaxation H2O and D2O by collisions with Ar.
Inelastic scattering
Scattering calculations
bound states
energy transfer
potential energy surface
Journal
Chemphyschem : a European journal of chemical physics and physical chemistry
ISSN: 1439-7641
Titre abrégé: Chemphyschem
Pays: Germany
ID NLM: 100954211
Informations de publication
Date de publication:
18 Jan 2024
18 Jan 2024
Historique:
revised:
18
01
2024
received:
13
10
2023
accepted:
18
01
2024
medline:
18
1
2024
pubmed:
18
1
2024
entrez:
18
1
2024
Statut:
aheadofprint
Résumé
The bending relaxation of H2O and D2O by collisions with Ar is studied at the Close Coupling level. Two new 4D PES are developed for these two systems. They are tested by performing rigid rotor calculations as well as computing the D2O-Ar bound states. The results are compared with available theoretical and experimental data. Propensity rules for the dynamics are discussed and compared to those of H2O colliding with Ne or He. The bending relaxation cross sections and rates are then calculated for these two systems. The results are analysed and compared with available experimental data.
Identifiants
pubmed: 38236071
doi: 10.1002/cphc.202300752
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e202300752Informations de copyright
© 2024 Wiley-VCH GmbH.