Unimolecular and bimolecular calculations for HN2.
Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN(2) system by focusing on the determination of bimolecular (N + NH and H + N(2)) and unimolecular (decomposition of HN(2)) rate constants as well as the relevant equilibrium constants.
Caridade
P J S B
PJ
Departamento de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal.
Rodrigues
S P J
SP
Sousa
F
F
Varandas
A J C
AJ