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Quantum mechanical computational studies of chemical reactions: I. Close-coupling method for the collinear H + H 2 reaction

✍ Scribed by Wu, Shiou-Fu; Levine, R.D.

Book ID
120205114
Publisher
Taylor and Francis Group
Year
1971
Tongue
English
Weight
954 KB
Volume
22
Category
Article
ISSN
0026-8976

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πŸ“œ SIMILAR VOLUMES

Collinear quantum mechanical calculation
Collinear quantum mechanical calculations for the reaction: He + H2+ β†’ HeH+ + H
✍ John T. Adams πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 367 KB

An ink& equation ieection path techtique hzs been used to calculate, within. the collkc~ app;oximaSon, rcnc:Ion piOb2bilitieSfOi the reStion He + Hz\* HC& r H over the ener\_g rans 0.95 G E Q 1.19 eV. Tkis rextion diffsis from those that have been studied previously v~ithin the coPib.ezr zpprotiiati

Collinear quantum mechanical calculation
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✍ Donald J. Kouri; Michael Baer πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 255 KB

Exact quantum mechanical results for callincar Hr + Hi -21 + HeH+reac:ive collisions arc prescnled Ior rhe (total) energy range of 0.93 CV to I .4 eV. The Hz initial vibrational states include u = 0 through u = 5. The diaromicsin-molecules semi-empirical surface of Kuntz is used in the compurntions.