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"Electronic structure of the S1 state in methylcobalamin: ..."

Karina Kornobis et al. (2013)

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DOI: 10.1002/JCC.23204

access: closed

type: Journal Article

metadata version: 2021-10-14

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Karina Kornobis, Neeraj Kumar, Piotr Lodowski, Maria Jaworska, Piotr Piecuch, Jesse J. Lutz, Bryan M. Wong, Pawel M. Kozlowski:
Electronic structure of the S₁ state in methylcobalamin: Insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations. J. Comput. Chem. 34(12): 987-1004 (2013)

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