STUDIES OF THE N(D-2)-2 REACTION ON REVISED POTENTIAL-ENERGY SURFACES(H)

Citation
H. Kobayashi et al., STUDIES OF THE N(D-2)-2 REACTION ON REVISED POTENTIAL-ENERGY SURFACES(H), Chemical physics letters, 277(1-3), 1997, pp. 20-26
Citations number
22
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
277
Issue
1-3
Year of publication
1997
Pages
20 - 26
Database
ISI
SICI code
0009-2614(1997)277:1-3<20:SOTNRO>2.0.ZU;2-G
Abstract
The dynamics of the N(D-2) + H-2 reaction has been studied by quasicla ssical trajectory methods and compared with the experimental results. Several potential energy surfaces were used. The product vibrational d istribution was affected by the modification of the entrance channel b arrier. Neither the product vibrational nor rotational distribution wa s affected by the modification of the deep well, which corresponds to NH2. The product rotational distribution was found to be mainly affect ed by the topology of potential energy surface at the exit channel reg ion. (C) 1997 Elsevier Science B.V.