Generalized X-Pol Theory and Charge Delocalization States-Reference-Cited by-同舟云学术

Generalized X-Pol Theory and Charge Delocalization States

Published:2010-07-15 Issue:8 Volume:6 Page:2402-2410
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gao Jiali¹,Cembran Alessandro¹,Mo Yirong¹

Affiliation:

1. Department of Chemistry, Digital Technology Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, and Department of Chemistry, Western Michigan University, Kalamazoo, Michigan 49008

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100292g

Reference53 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. The variational explicit polarization potential and analytical first derivative of energy: Towards a next generation force field

5. Explicit Polarization (X-Pol) Potential Using ab Initio Molecular Orbital Theory and Density Functional Theory

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