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An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches.

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Description scientific article published on 12 January 2017
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author: Qin Wu  Andrew C Simmonett  Frank C Pickard  Lee-Ping Wang  Yihan Shao  Alex MacKerell  Bernard R Brooks  Jing Huang  Ye Mei  Gerhard König 

Publication date January 24, 2017
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