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Peculiarities of the Electronic Structure of Cytochrome P450 Compound I:  CASPT2 and DFT Modeling

Mariusz Radoń1,2, Ewa Broclawik1,2

  • 1Department of Theoretical Chemistry, Jagiellonian University, Ingardena St. 3, 30-060 Cracow, Poland.

Journal of Chemical Theory and Computation
|December 3, 2015
PubMed

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