QUANTUM-MECHANICAL CALCULATION OF THE RATE-CONSTANT FOR THE REACTION H-]OH+O(O2)

Authors
LEFORESTIER C MILLER WH
Citation
C. Leforestier et Wh. Miller, QUANTUM-MECHANICAL CALCULATION OF THE RATE-CONSTANT FOR THE REACTION H-]OH+O(O2), The Journal of chemical physics, 100(1), 1994, pp. 733-735
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
100
Issue
1
Year of publication
1994
Pages
733 - 735
Database
ISI
SICI code
0021-9606(1994)100:1<733:QCOTRF>2.0.ZU;2-2
Abstract
Rigorous three-dimensional quantum mechanical calculations have been c arried out for the cumulative reaction probability of the titled react ion for total angular momentum, J=0. Higher values of J are included a pproximately, and the resulting thermal rate constant agrees well with experimental values for 800 less-than-or-equal-to T less-than-or-equa l-to 3000 K.