Electronic structure of the S1 state in methylcobalamin: insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations

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Description scientific article published on 19 January 2013
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author: Jesse J Lutz  Bryan M. Wong  Neeraj Kumar  Piotr Piecuch 

Publication date January 19, 2013
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