QUANTUM AND QUASICLASSICAL STUDY OF THE COLLINEAR REACTION O(3P)+H2-]OH+H USING A LEPS AND FITTED ABINITIO POTENTIAL-ENERGY SURFACE

Journal article

Accurate quantum calculations of reaction probabilities PTν′←ν have been carried out for the collinear reaction O(3P) + H2 (ν = 0,1) → OH(ν′) + H using a LEPS and fitted ab initio potential energy surface. The energy dependence of the PTν′ ← ν is similar for both surfaces. Collinear quasiclassical trajectory calculations have also been carried out, for comparison, on the LEPS surface for ν = 0, 1 and 2. © 1979.

Authors: Clary, D; Connor, J; Edge, C

• Publication status: Published
• Journal: CHEMICAL PHYSICS LETTERS
• Volume: 68
• Issue: 1
• Pages: 154-157
• Publication date: 1979-01-01
• DOI: 10.1016/0009-2614(79)80090-1
• ISSN: 0009-2614
• Language: English