Development of a “First Principles” Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient, and Small Clusters-Reference-Cited by-同舟云学术

Development of a “First Principles” Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient, and Small Clusters

Published:2014-03-21 Issue:4 Volume:10 Page:1599-1607
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Babin Volodymyr¹,Medders Gregory R.¹,Paesani Francesco¹

Affiliation:

1. Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500079y

Reference53 articles.

1. Unified Approach for Molecular Dynamics and Density-Functional Theory

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

3. Chapter 10 The Effective Fragment Potential: A General Method for Predicting Intermolecular Interactions

4. Self-consistent polarization neglect of diatomic differential overlap: Application to water clusters

5. Semiempirical Self-Consistent Polarization Description of Bulk Water, the Liquid−Vapor Interface, and Cubic Ice

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