Nonadiabatic fragmentation of H2O+ and isotopomers. Wave packet propagation using ab initio wavefunctions
Author:
Affiliation:
1. Laboratorio Asociado al CIEMAT de Física Atómica y Molecular en Plasmas de Fusión
2. Departamento de Química
3. Universidad Autónoma de Madrid
4. 28049-Madrid
5. Spain
Abstract
The nonadiabatic fragmentation of excited water cations (and isotopomers) is studied by propagating wave packets on ab initio potential energy surfaces.
Funder
Secretaría de Estado de Investigación, Desarrollo e Innovación
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03725F
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