Rate constant calculations of the GeH4 + OH/OD → GeH3 + H2O/HOD reactions using an ab initio based full-dimensional potential energy surface
Author:
Affiliation:
1. Departamento de Quimica Fisica and Instituto de Computación Científica Avanzada
2. Universidad de Extremadura
3. 06071 Badajoz
4. Spain
Abstract
2D representation of the analytical potential energy surface. The saddle point and the complexes in the entry and exit channels are included.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP02986H
Reference51 articles.
1. Infrared detection by the matrix-isolation technique of radicals produced in deposition plasmas: germane
2. Dynamics of OH and OD radical reactions with HI and GeH4 as studied by infrared chemiluminescence of the H2O and HDO products
3. Infrared chemiluminescence from water-forming reactions: Characterization of dynamics and mechanisms
4. Ab Initio and Kinetic Calculations for the Reactions of H with (CH3)(4-n)GeHn (n = 1, 2, 3, 4)
5. Theoretical Study on the Thermochemistry of Chlorinated and Fluorinated Germanes and Their Radical Fragments
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