Thermochemistry of Radicals and Molecules Relevant to Atmospheric Chemistry: Determination of Group Additivity Values using G3//B3LYP Theory.

Autor: Shumaila S. Khan, Xinrui Yu, Jeffrey R. Wade, R. Dean Malmgren, Linda J. Broadbelt
Zdroj: Journal of Physical Chemistry A; Apr2009, Vol. 113 Issue 17, p5176-5194, 19p
Databáze: Supplemental Index