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Density Functional Theory in Transition-Metal Chemistry: Relative Energies of Low-Lying States of Iron Compounds and the Effect of Spatial Symmetry Breaking
Sorkin, Anastassia, Iron, Mark A., Truhlar, Donald G.Volume:
4
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct700250a
Date:
February, 2008
File:
PDF, 172 KB
english, 2008