𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum-mechanical study of the parallel molecule-surface reaction HCl + S → HS + Cl

✍ Scribed by Michael Baer


Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
323 KB
Volume
116
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


Quantum-mechanical transition probabilities are presented for the molecule HCl(o,) reacting with a solid surface S. i.e. HCl(u,)+S --) HS+ c1: u, = 0,. __ .4. The calculations were done for a fixed parallel approach (y = T/Z) of the molecule_ Results are shown as a function of total energy E,, for the energy range 1.95 G E,,, G 3.3 eV_


📜 SIMILAR VOLUMES


Quantum dynamical study of the H + HCl →
✍ Susan E. Branchett; Søren Berg Padkjaer; Jean Michel Launay 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 578 KB

The hyperspherical method has been used to perform a close coupling calculation on the HtHCl+H2tCI reaction. Partial reaction probabilities and integral and differential cross sections have been computed for energies ranging from threshold up to I eV.

Theoretical mechanistic study on the rad
✍ Jian Wang; Yi-Hong Ding; Chia-Chung Sun 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 424 KB

## Abstract The cyanomethylidyne (CCN) has been the long‐standing subject of extensive theoretical and experimental studies on its structures and spectroscopies. However, there are few investigations on its reactivity. Our very recent theoretical work indicated that even with the simplest methane,

A three-dimensional quantum mechanical s
✍ H. Szichman; A.J.C. Varandas; M. Baer 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 353 KB

We present a three-dimensional quantum mechanical study of the atmospheric highly exothermic reaction 0+0,+20, employing an accurate six-dimensional potential energy surface. The calculated reactive cross-sections are compared with crosssections obtained from a quasi-classical-trajectory calculation

Control of product channels by addition
✍ J. Xu; A.R. Slagle; D.W. Setser; J.C. Ferrero 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 799 KB

An order of magnitude enhancement of the XeCl(B,C) formation rate constants was observed for the 300 K reactions of Xe( 6p[ l/2] 0 and [ 3/2]\*) atoms with CF&l, CF& and CF,HCl, relative to the reactions of Xe( 6s, 3P2) atoms. Similar large XeCl( B,C) formation enhancement factors were found for rea