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Self-consistent solution to the back-reaction problem for vector fields in two dimensions

✍ Scribed by Luis P. Chimento; Adriana E. Cossarini

Book ID
116148467
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
777 KB
Volume
373
Category
Article
ISSN
0550-3213

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Self-consistent-field potential energy s
Self-consistent-field potential energy surface in three dimensions for the Cl + H2 β†’ ClH + H chemical reaction
✍ S. Rothenberg; H.F. Schaefer III πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 484 KB

Non-empirical self-consistent-field calculations have been carried out for 38 points on the potential surface for the Cl f H, + ClH + H chemical reaction. A basis set of seven s, five p, and one d functions on ctiorine and three s and one p on each hydrogen atom was used. The least energy path r~ccu