Assessing Ion–Water Interactions in the AMOEBA Force Field Using Energy Decomposition Analysis of Electronic Structure Calculations-Reference-Cited by-同舟云学术

Assessing Ion–Water Interactions in the AMOEBA Force Field Using Energy Decomposition Analysis of Electronic Structure Calculations

Published:2016-10-18 Issue:11 Volume:12 Page:5422-5437
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mao Yuezhi¹,Demerdash Omar¹,Head-Gordon Martin¹,Head-Gordon Teresa¹²

Affiliation:

1. Kenneth S. Pitzer Center for Theoretical Chemistry, and Department of Chemistry, University of California at Berkeley, Berkeley, California 94720, United States

2. Department of Bioengineering, and Department of Chemical and Biomolecular Engineering, University of California at Berkeley, Berkeley, California 94720, United States

Funder

Division of Chemistry

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00764

Reference116 articles.

1. Stone, A. J.The Theory of Intermolecular Forces,2nd Edition;Oxford University Press:Oxford, U.K., 2013; p285.

2. An effective fragment method for modeling solvent effects in quantum mechanical calculations