A reduced dimension quantum reactive scattering study of OH + CO⇌H + CO2
作者： George C Schatz , Jeff Dyck , None
DOI: 10.1016/0009-2614(92)85080-T
关键词: Quantum chemistry 、 RRKM theory 、 Carbon monoxide 、 Physical chemistry 、 Scattering 、 Chemistry 、 Molecular physics 、 Quantum 、 Dimension (vector space) 、 Physical and Theoretical Chemistry 、 General Physics and Astronomy
摘要: Abstract We develop a two-degree of freedom model OH+CO⇌H+CO2 based on realistic potential surface. Trajectory and RRKM results for this are similar to their full dimensional counterparts. Accurate quantum studies the show that nonstatistical effects play an important role in determining HOCO lifetimes.
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