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A mixed quantum classical rate theory for the collinear H+H[sub 2] reaction

✍ Scribed by Zheng, Yujun; Pollak, Eli


Book ID
120993386
Publisher
American Institute of Physics
Year
2001
Tongue
English
Weight
413 KB
Volume
114
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES


Classical and quantum reaction probabili
✍ J.M. Bowman; A. Kuppermann πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 409 KB

Ck~sical trajectory cakuk~tions for the collinea\_r H+H2 exchange reaction weie performed QSiIIg the same poten-. ## I&J merg surface pretiou+ly adopted for exact quantum mechanical calculationr Reactions of bath sound state amjv-ibrationdy excited aate reagent were wwidered, over a relative kine

Comparison of semi-classical, exact quan
✍ J.M. Bowman; Aron Kuppermann πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 421 KB

The classical (CSC), prirnitive (PSC), md uniform (USC) semi-Jassical expressions for reactive transition probabilities of Miller and co-workers have been used to obtain reaction probabilities for the collinear H + Hz exchange reaction. Comparisons with exact quantum results for the 0 4 0 transition

The F+H2β†’HF+H reaction: classical and qu
✍ James S. Wright; Richard J. Williams; Robert E. Wyatt πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 779 KB

A new potential surface for the collinear F+Hz reaction, generated using a combination of rotated Morse curves and an MRD-CI electronic structure calculation, gave a barrier height of 3.99 kcaI/mol. Quasiclassical (forward) trajectory calculations show product vibrational distributions with the same

Collinear quantum mechanical calculation
✍ 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