Electronic structure of the S1state in methylcobalamin: Insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations

Karina Kornobis, Neeraj Kumar, Piotr Lodowski, Maria Jaworska, Piotr Piecuch, Jesse J. Lutz, Bryan M. Wong, Pawel M. Kozlowski
  • Journal of Computational Chemistry, January 2013, Wiley
  • DOI: 10.1002/jcc.23204

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http://dx.doi.org/10.1002/jcc.23204

The following have contributed to this page: Professor Bryan M. Wong