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.
An ab initio study of the potential surface for the reaction H2CO+H → HCO+ + H2
✍ Scribed by Svein Sæbø
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 480 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0009-2614
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