Accurate Spin-State Energetics of Transition Metal...

Journal of Chemical Theory and Computation 2012 / 11 Vol. 8; Iss. 11

Accurate Spin-State Energetics of Transition Metal Complexes. 1. CCSD(T), CASPT2, and DFT Study of [M(NCH) 6 ] 2+ (M = Fe, Co)

Lawson Daku, Latévi Max, Aquilante, Francesco, Robinson, Timothy W., Hauser, Andreas
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Volume:
8
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300592w
Date:
November, 2012
File:
PDF, 788 KB
english, 2012
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