Electronic structure of the S 1...

Journal of Computational Chemistry 2013 / 05 Vol. 34; Iss. 12

Electronic structure of the S 1 state in methylcobalamin: Insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations

Kornobis, Karina, Kumar, Neeraj, Lodowski, Piotr, Jaworska, Maria, Piecuch, Piotr, Lutz, Jesse J., Wong, Bryan M., Kozlowski, Pawel M.
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Volume:
34
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.23204
Date:
May, 2013
File:
PDF, 2.71 MB
english, 2013
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