Improved description of ligand polarization enhances transferability of ion–ligand interactions-Reference-Cited by-同舟云学术

Improved description of ligand polarization enhances transferability of ion–ligand interactions

Published:2020-09-07 Issue:9 Volume:153 Page:094115
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Wineman-Fisher Vered¹^ORCID,Al-Hamdani Yasmine²^ORCID,Nagy Péter R.³^ORCID,Tkatchenko Alexandre²^ORCID,Varma Sameer¹^ORCID

Affiliation:

1. Department of Cell Biology, Microbiology and Molecular Biology, University of South Florida, Tampa, Florida 33620, USA

2. Physics and Materials Science Research Unit, University of Luxembourg, 162a Avenue de La Fïancerie, Luxembourg City L-1511, Luxembourg

3. Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, P. O. Box 91, H-1521 Budapest, Hungary

Funder

National Institute of General Medical Sciences

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0022058

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2. Water–water and water–ion potential functions including terms for many body effects

3. Many‐body effects in molecular dynamics simulations of Na+(H2O)n and Cl−(H2O)n clusters

4. Ion Solvation Thermodynamics from Simulation with a Polarizable Force Field

5. A comparative study of the hydration of Na+ and K+ with refined polarizable model potentials

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