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Theoretical and experimental revision of the water bending excitation in the OH/OD + GeH4 reactions

Authors :
N. I. Butkovskaya
José C. Corchado
D. W. Setser
Joaquin Espinosa-Garcia
Source :
Theoretical Chemistry Accounts. 138
Publication Year :
2019
Publisher :
Springer Science and Business Media LLC, 2019.

Abstract

The bending force constant associated with formation water that is selected for the potential energy surface describing the OH/OD + GeH4 reaction is shown to be important for the degree of bending excitation of H2O and HOD.

Details

ISSN :
14322234 and 1432881X
Volume :
138
Database :
OpenAIRE
Journal :
Theoretical Chemistry Accounts
Accession number :
edsair.doi...........ff691c955409dec74c9b568d611577e3
Full Text :
https://doi.org/10.1007/s00214-019-2506-2