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Can I read Semi-empirical potential energy surfaces for the reactions H + HCl → H2 + Cl and H' + HCl → H' Cl + H on EtoBox?
Semi-empirical potential energy surfaces for the reactions H + HCl → H2 + Cl and H' + HCl → H' Cl + H by I. Last; M. Bear is a Physics and Astronomy article available to read on EtoBox.
What is Semi-empirical potential energy surfaces for the reactions H + HCl → H2 + Cl and H' + HCl → H' Cl + H about?
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). Changmg one adjustable parameter only and fitting the expenmental afference between the activation energes of the two reaction channels, we obtain 4.9 and 3.9 kcal/mole respectwely for the abstraction and exchange barrier heights.
Who reads Semi-empirical potential energy surfaces for the reactions H + HCl → H2 + Cl and H' + HCl → H' Cl + H?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- I. Last; M. Bear
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 1980
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)