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Density Functional Calculations of E2 and S N 2 Reactions: Effects of the Choice of Density Functional, Basis Set, and Self-Consistent Iterations
Zhao, Yan, Truhlar, Donald G.Volume:
6
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct100082z
Date:
April, 2010
File:
PDF, 84 KB
english, 2010