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Simulation of Heme Using DFT + U: A Step toward Accurate Spin-State Energetics
Scherlis, Damián A., Cococcioni, Matteo, Sit, Patrick, Marzari, NicolaVolume:
111
Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp070549l
Date:
June, 2007
File:
PDF, 238 KB
english, 2007