𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum-mechanical calculation of the thermal rate constant for the H2+Cl→H+HCl reaction

✍ Scribed by Uwe Manthe; Wensheng Bian; Hans-Joachim Werner

Book ID
108313063
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
130 KB
Volume
313
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Quantum dynamical study of the H + HCl →
Quantum dynamical study of the H + HCl → H2 + Cl reaction
✍ 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.

The rate constant of the gas-phase react
The rate constant of the gas-phase reaction H3O+ + Cl− → H2O + HCl
✍ N.A. Burdett; A.N. Hayhurst; C. Morley 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 315 KB

## By observing mass spectrometrically the decay of H# in flames the ratio of the rate constants for the neutmfization of H30t by Cl-and the electron has been measured as 0.11 f 0.03 over the temperature range 1800-2600°K.

Semi-empirical potential energy surfaces
Semi-empirical potential energy surfaces for the reactions H + HCl → H2 + Cl and H' + HCl → H' Cl + H
✍ I. Last; M. Bear 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 437 KB

The H + HCI potential surfaces for both reaction LhJnnel.S are calculated by a modlied dlatormcs-m-molecules method mcludmg three-center molecular Integrals Usmg the same adjustable parameters as for the FH2 system, we obtam barner heights of 5.2 kcal/mole (abstractlon) and J 4.2 kcal/moIe (exchange

Parallel calculations of quasiclassical
Parallel calculations of quasiclassical rate constants: the H + H2 reaction
✍ Antonio Laganà; Ernesto Garcia; Jesus Mateos 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 633 KB

To calculate atom-diatom quasiclassical rate constants at different translational and rotational temperatures for hydrogen atoms reacting with vibrationally excited hydrogen molecules, we have integrated about 10' trajectories. The most practical way of carrying out such a large calculation was to r