๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

On the exactness of classical transition state theory for collinear collisions

โœ Scribed by Erik K. Grimmelmann; Lawrence L. Lohr Jr.

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
409 KB
Volume
48
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

โœฆ Synopsis

WC have appl~tl Pcchukas aEd Mclafterty'i tclt for the cxactnoss of classical transItion state theory (TST) to t[lc cnllrncar subsurface of Porter and Karplus' H3 hypcrsurface and have detcrmmcd that TS r is c\act to at lca~t o.0592131 cv above the saddle point energy.

๐Ÿ“œ SIMILAR VOLUMES

Comparison of semi-classical, exact quan
Comparison of semi-classical, exact quantum, and quasi-classical reactive transition probabilities for the collinear H + H2 reaction
โœ J.M. Bowman; Aron Kuppermann ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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

Theory of semiclassical transition proba
Theory of semiclassical transition probabilities for inelastic and reactive collisions. IV. Classically-inaccessible transitions calculated by integration along complex-valued trajectories
โœ J. Stine; R.A. Marcus ๐Ÿ“‚ Article ๐Ÿ“… 1972 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 564 KB

We calculate semiclassical S-matrix elements Stun by numerical integration along complex-valued trajectories, by avoiding (simply) previously reported trajectory divergences. Now, one can numerically calculate even I Smnl ~ 10 -11 for the Secrest-Johnson system (their lowest I Smn 12), instead of on

On the General Theory of Collisions for
On the General Theory of Collisions for Particles with Spin
โœ M. Jacob; G.C. Wick ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 194 KB

The general analysis of binary reactions involving particles with arbitrary spin is reformulated in such a way, that it applies equally well to relativistic particles (including photons). This is achieved by using longitudinal spin components (``helicity states'') not only in the initial and final s