Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method

Dmitri G. Fedorov, Pavel V. Avramov, Jan H. Jensen, Kazuo Kitaura
  • Chemical Physics Letters, July 2009, Elsevier
  • DOI: 10.1016/j.cplett.2009.06.072

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http://dx.doi.org/10.1016/j.cplett.2009.06.072

The following have contributed to this page: Jan H Jensen