A Coarse-Grained Force Field Parameterized for MgCl2 and CaCl2 Aqueous Solutions-Reference-Cited by-同舟云学术

A Coarse-Grained Force Field Parameterized for MgCl2 and CaCl2 Aqueous Solutions

Published:2017-07-12 Issue:7 Volume:57 Page:1599-1608
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Gong Zheng¹,Sun Huai¹^ORCID

Affiliation:

1. School of Chemistry and Chemical Engineering and Ministry of Education Key Laboratory of Scientific and Engineering Computing, Shanghai Jiao Tong University, Shanghai, 200240, China

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.7b00206

Reference81 articles.

1. Binding of Mg2+and Ca2+to Palmitic Acid and Deprotonation of the COOH Headgroup Studied by Vibrational Sum Frequency Generation Spectroscopy

2. Understanding the Effects of Concentration on the Solvation Structure of Ca2+ in Aqueous Solution. I: The Perspective on Local Structure from EXAFS and XANES

3. Understanding the Effects of Concentration on the Solvation Structure of Ca2+ in Aqueous Solution. II: Insights into Longer Range Order from Neutron Diffraction Isotope Substitution

4. Solvation of Calcium Ion in Polar Solvents: An X-ray Diffraction and ab Initio Study

5. Ion pairing in aqueous calcium chloride solution: Molecular dynamics simulation and diffraction studies

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