Comparisons between Density Functional Theory and Conventional ab Initio Methods for 1,2-Elimination of HF from 1,1,1-Trifluoroethane: Test Case Study for HF Elimination from Fluoroalkanes †
Martell, Jaime M., Beaton, Paul T., Holmes, Bert E.Volume:
106
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp020931s
Date:
September, 2002
File:
PDF, 66 KB
english, 2002