Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation

Hui Li, Dmitri G. Fedorov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen, Mark S. Gordon
  • Journal of Computational Chemistry, January 2009, Wiley
  • DOI: 10.1002/jcc.21363

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http://dx.doi.org/10.1002/jcc.21363

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