Effect of an S 1 /S 0 Conical Intersection on the Chemistry of Nitramide in Its Ground State. A Comparative CASPT2 Study of the Nitro-Nitrite Isomerization Reactions in Nitramide and Nitromethane
Soto, Juan, Arenas, Juan F., Otero, Juan C., Peláez, DanielVolume:
110
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp0617219
Date:
July, 2006
File:
PDF, 455 KB
english, 2006