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A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches

Tommaso Giovannini1, Piero Lafiosca1, Chiara Cappelli1

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

Journal of Chemical Theory and Computation
|September 13, 2017
PubMed

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