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Cover Image, Volume 115, Issue 9
Publication year - 2015
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24906
Subject(s) - polarizability , cover (algebra) , computer science , citation , dipole , quantum , theoretical physics , physics , quantum mechanics , world wide web , engineering , mechanical engineering , molecule
This perspective, Xingyong Wang, Tianying Yan and Jing Ma (DOI: 10.1002/qua.24829 ) give a brief overview of recent developments of polarizable force fields (FFs) – a kind of specific FF method that includes polarization effect into conventional molecular mechanics (MM). The commonly adopted polarizable models, i.e., the fluctuating charge (FQ) model, Drude model, and the inducible dipole (ID) model are expatiated. Taking advantage of the recent development of computational techniques and fragment‐based low‐scaling quantum mechanics (QM) methods, QM‐based polarizable FFs appeared and particularly aroused great interest in biological systems. Current applications and limitations of several models are discussed. Opportunities and challenges for future development are also addressed.

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