TY  - GEN
AU  - Sit,Patrick H-L
AU  - Car,Roberto
AU  - Cohen,Morrel H
AU  - Selloni,Annabella
TI  - Simple, unambiguous theoretical approach to oxidation state determination via first-principles calculations
SN  - 1520-510X
PY  - 2012///0130
KW  - Ligands
KW  - Models, Chemical
KW  - Oxidation-Reduction
KW  - Quantum Theory
KW  - Transition Elements
KW  - chemistry
N1  - Publication Type: Journal Article; Research Support, U.S. Gov't, Non-P.H.S
UR  - https://doi.org/10.1021/ic2013107
ER  -