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Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian

Filippo Lipparini1, Chiara Cappelli1,2, Giovanni Scalmani3

  • 1Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy.

Journal of Chemical Theory and Computation
|November 26, 2015
PubMed

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