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Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials

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Potestio,  Raffaello
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Donadio,  Davide
MP Group Donadio: Theory of Nanostructures and Transport, MPI for Polymer Research, Max Planck Society;

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Boereboom, J. M., Potestio, R., Donadio, D., & Bulo, R. E. (2016). Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials. Journal of Chemical Theory and Computation, 12(8), 3441-3448. doi:10.1021/acs.jctc.6b00205.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002B-811A-8
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