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An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches.
scientific article published on 12 January 2017
Author/s
author: Jing Huang, Ye Mei, Gerhard König, Frank C Pickard, Qin Wu, Lee-Ping Wang, Alex MacKerell, Yihan Shao, Bernard R Brooks, Andrew C Simmonett
Work details
Publication date
January 24, 2017
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Language
English
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