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.
A simple ab-initio potential surface for the reaction H3+(H2, H2) H3+ in C2v symmetry
β Scribed by D. Hyatt; P.N. Careless; L. Stanton
- Publisher
- Elsevier Science
- Year
- 1977
- Weight
- 338 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0020-7381
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