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An AB initio study of the potential surface for the reaction H2CN+H2 → HCH+H + H2

✍ Scribed by Svein Sæbø

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
364 KB
Volume
47
Category
Article
ISSN
0009-2614

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✦ Synopsis

The poteniiaI surface for the reaction H,CN+H* -HCN+H + Hz has been studieu by ab initio SCF calculations, using gaussian-type basis functions. A saddle point on the surface has been found, and a reaction path is proposed to explain the observed reIease tii kinetic energy.

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