QCT dynamics study of OH/OD + GeH4 reactions. The problem of water bending excitation
Author:
Affiliation:
1. Departamento de Quimica Fisica and Instituto de Computación Científica Avanzada (ICCAEx)
2. Universidad de Extremadura
3. 06071 Badajoz
4. Spain
Abstract
The difficulties in the description of the water bending population could be related to the zero-point violation problem in QCT calculations.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C6CP08118E
Reference26 articles.
1. Dynamics of OH and OD radical reactions with HI and GeH4 as studied by infrared chemiluminescence of the H2O and HDO products
2. Infrared chemiluminescence from water-forming reactions: Characterization of dynamics and mechanisms
3. Rate constant calculations of the GeH4 + OH/OD → GeH3 + H2O/HOD reactions using an ab initio based full-dimensional potential energy surface
4. A Correlation of Reaction Rates
5. Product vibrational distributions in polyatomic species based on quasiclassical trajectory calculations
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