Affiliation:
1. Department of Chemistry, Aarhus University, Denmark
Abstract
We review different models for introducing electric polarization in force fields, with special focus on methods where polarization is modelled at the atomic charge level.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference201 articles.
1. Nine questions on energy decomposition analysis
2. Assessment of SAPT and Supermolecular EDA Approaches for the Development of Separable and Polarizable Force Fields
3. Y. Z.Mao , M.Loipersberger , P. R.Horn , A.Das , O.Demerdash , D. S.Levine , S. P.Veccham , T.Head-Gordon and M.Head-Gordon , in Annual Review of Physical Chemistry , ed. M. A. Johnson and T. J. Martinez , 2021 , vol. 72, pp. 641–666
4. Quantum Derivative Fitting and Biomolecular Force Fields: Functional Form, Coupling Terms, Charge Flux, Nonbond Anharmonicity, and Individual Dihedral Potentials
5. Inclusion of charge and polarizability fluxes provides needed physical accuracy in molecular mechanics force fields
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