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Assessment of MC-PDFT excitation energies for a set of QM/MM models of rhodopsins

Electronic Structure - Methods

Publication Details

  • Authors: M. del Carmen Marín, L. De Vico, S. S. Dong, L. Gagliardi, D. G. Truhlar, and M. Olivucci
  • Publication Number: 319
  • Year: 2019
  • Journal: J. Chem. Theory Comput.
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Full Citation

M. del Carmen Marín, L. De Vico, S. S. Dong, L. Gagliardi, D. G. Truhlar, and M. Olivucci, Assessment of MC-PDFT excitation energies for a set of QM/MM models of rhodopsins, J. Chem. Theory Comput., 2019, 15, 1915–1923. DOI: 10.1021/acs.jctc.8b01069