Density Functional Theory of Open-Shell Systems. The...

Journal of Chemical Theory and Computation 2014 / 01 Vol. 10; Iss. 1

Density Functional Theory of Open-Shell Systems. The 3d-Series Transition-Metal Atoms and Their Cations

Luo, Sijie, Averkiev, Boris, Yang, Ke R., Xu, Xuefei, Truhlar, Donald G.
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Volume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct400712k
Date:
January, 2014
File:
PDF, 556 KB
english, 2014
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