CROSS-SECTIONS AND RATE CONSTANTS FOR THE O(D-1)-2 REACTION USING A SINGLE-VALUED ENERGY-SWITCHING POTENTIAL-ENERGY SURFACE(H)

Authors
VARANDAS AJC VORONIN AI RIGANELLI A CARIDADE PJSB
Citation
Ajc. Varandas et al., CROSS-SECTIONS AND RATE CONSTANTS FOR THE O(D-1)-2 REACTION USING A SINGLE-VALUED ENERGY-SWITCHING POTENTIAL-ENERGY SURFACE(H), Chemical physics letters, 278(4-6), 1997, pp. 325-332
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
278
Issue
4-6
Year of publication
1997
Pages
325 - 332
Database
ISI
SICI code
0009-2614(1997)278:4-6<325:CARCFT>2.0.ZU;2-G
Abstract
A realistic single-valued energy-switching potential energy surface re cently proposed for the water molecule has been used to perform quasic lassical trajectory calculations for the title reaction. The calculate d cross sections and rate constants are compared with theoretical and experimental data, particularly with a view to assess the temperature dependence of the rate constant. (C) 1997 Elsevier Science B.V.