Mostrar el registro sencillo del ítem

A Rigid Bender Study of the Bending Relaxation of H2O and D2O by Collisions with Ar

dc.contributor.authorGarcía-Vázquez, Ricardo Manuel
dc.contributor.authorCabrera-González, Lisán David
dc.contributor.authorDenis-Alpizar, Otoniel
dc.contributor.authorStoecklin, Thierry
dc.date.accessioned2024-06-21T02:04:58Z
dc.date.available2024-06-21T02:04:58Z
dc.date.issued2024
dc.identifier10.1002/cphc.202300752
dc.identifier.issn14394235
dc.identifier.urihttps://hdl.handle.net/20.500.12728/11476
dc.description.abstractThe 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 by 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. © 2024 The Authors. ChemPhysChem published by Wiley-VCH GmbH.es_ES
dc.description.sponsorshipAgence Nationale de la Recherche, ANR, (ANR‐20‐CE31‐0011); Agence Nationale de la Recherche, ANR; ECOS‐SUD‐CONICYT, (C22E02, ECOS220023, 21210379)es_ES
dc.language.isoenes_ES
dc.publisherJohn Wiley and Sons Inces_ES
dc.subjectEnergy transferes_ES
dc.subjectMolecular dynamicses_ES
dc.subjectQuantum Chemistryes_ES
dc.titleA Rigid Bender Study of the Bending Relaxation of H2O and D2O by Collisions with Ares_ES
dc.typeArticlees_ES


Ficheros en el ítem

Thumbnail
Nombre:
ChemPhysChem - 2024 - García‐V ...
Tamaño:
21.61Mb
Formato:
PDF
Descripción:
Main article
Ver/

Este ítem aparece en la(s) siguiente(s) colección(ones)

Mostrar el registro sencillo del ítem