Explicit Polarization (X-Pol) Potential Using ab Initio Molecular Orbital Theory and Density Functional Theory
Author:
Affiliation:
1. Department of Chemistry, Digital Technology Center and Supercomputing Institute University of Minnesota, Minneapolis, Minnesota 55455-0431
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp902710a
Reference69 articles.
1. Toward a Molecular Orbital Derived Empirical Potential for Liquid Simulations
2. A molecular-orbital derived polarization potential for liquid water
3. Design of a Next Generation Force Field: The X-POL Potential
4. Incorporation of a QM/MM Buffer Zone in the Variational Double Self-Consistent Field Method
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