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Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling

Filippo Lipparini1, Giovanni Scalmani2, Louis Lagardère3

  • 1Sorbonne Universités, UPMC Univ. Paris 06, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005 Paris, France.

The Journal of Chemical Physics
|November 17, 2014
PubMed

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