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Semi-empirical valence bond potential energy surfaces for homonuelear alkali trimers

✍ Scribed by Varandas, A.J.C.; Morais, V.M.F.


Book ID
120344365
Publisher
Taylor and Francis Group
Year
1982
Tongue
English
Weight
670 KB
Volume
47
Category
Article
ISSN
0026-8976

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πŸ“œ SIMILAR VOLUMES


London potential-energy surfaces for sym
✍ S. Noor Mohammad πŸ“‚ Article πŸ“… 1978 πŸ› John Wiley and Sons 🌐 English βš– 625 KB

## Abstract Semiempirical valence bond calculations have been performed on the symmetrical alkali trimers in order to obtain their potential‐energy surface, binding energy, and equilibrium geometry. For these calculations original and generalized Rosen–Morse potentials for the ground state and two

Semi-empirical potential energy surfaces
✍ Mark Salomon πŸ“‚ Article πŸ“… 1970 πŸ› John Wiley and Sons 🌐 English βš– 404 KB

## Abstract A method for constructing potential energy surfaces previously proposed by the author has been extended to hydrogen transfer reactions between halide, oxygen, and carbon atoms. A qualitative relation was found between the repulsive energy and the number of anti‐bonding electrons. In gen

Semi-empirical potential energy surface
✍ Kwok L. Yip; Donald R. Franceschetti πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 222 KB

Potrntial energy surfxcs were obtained in an estendcd IIi.ickel culculaGon for the lowest ' A1 und ' 82 states of the ferrous porphin-CO compiles. The relcv~nce of these surfaces to cspcrimental kinetic data is discussed.