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Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians

Classical Simulations Electronic Structure - Modeling Properties Photochemistry, Spectroscopy, Dynamics

Publication Details

  • Authors: S. Ghosh, A. Andersen, L. Gagliardi, C. Cramer, and N. Govind
  • Publication Number: 272
  • Year: 2017
  • Journal: J. Chem. Theory Comput.
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Full Citation

S. Ghosh, A. Andersen, L. Gagliardi, C. Cramer, and N. Govind, Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians, J. Chem. Theory Comput., 2017, 13, 4410–4420. DOI: 10.1021/acs.jctc.7b00618