Ab Initio Study of the H2 Elimination from CH2OH+, CH2NH2+, and CH2SH+
Author:
Affiliation:
1. Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, C/ Julián Clavería, 8, 33006 Oviedo, Principado de Asturias, Spain
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp962752e
Reference17 articles.
1. Kinetic energy release as a mechanistic probe. Role of orbital symmetry
2. Dynamics of the reaction CH2OH+ .fwdarw. CHO+ + H2. Translational energy release from ab initio trajectory calculations
3. Dynamics of molecular hydrogen elimination from the methaniminium cation, [CH2NH2]+. Isotope effects, translational-energy release, and molecular-orbital calculations
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