Molecular dynamics analysis of the LiNC ↔ LiCN reaction in a dense Ar bath

PHYS 441

P. L. García Müller1, R. M. Benito Zafrilla1, and F. Borondo2. (1) Dpto. de Física y Mecánica, Grupo de Sistemas Complejos, Universidad Politécnica de Madrid, ETSI Agronómos, Madrid, 28040, Spain, (2) Departamento Química, C-IX, Universidad Autónoma de Madrid, Cantoblanco, Madrid, 28049, Spain
The LiNC ↔ LiCN reaction in an Ar bath is studied by molecular dynamics. The isomerization time distributions of the microcanonical and canonical ensambles of classical trayectories are fitted to a q-exponential decay law.
 

Poster Session
7:30 PM-10:00 PM, Wednesday, 13 September 2006 Moscone Center -- Hall D, Poster

Division of Physical Chemistry

The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006