Alkali halide force fields: Utilizing the melting temperature-Reference-Cited by-同舟云学术

Alkali halide force fields: Utilizing the melting temperature

Published:2021-12 Issue: Volume:343 Page:117575
ISSN:0167-7322
Container-title:Journal of Molecular Liquids
language:en
Short-container-title:Journal of Molecular Liquids

Author:

Baranyai András

Funder

Hungarian Scientific Research Fund

Hungarian Academy of Sciences

Publisher

Elsevier BV

Subject

Materials Chemistry,Physical and Theoretical Chemistry,Spectroscopy,Condensed Matter Physics,Atomic and Molecular Physics, and Optics,Electronic, Optical and Magnetic Materials

Reference11 articles.

1. A new polarizable force field for alkali and halide ions

2. A systematic development of a polarizable potential of water

3. Simple transferable intermolecular potential for the molecular simulation of water over wide ranges of state conditions

4. A. Baranyai, J. Mol. Liquids, 297, 111762 (2020).

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1. Structure of aqueous alkali metal halide electrolyte solutions from molecular simulations of phase-transferable polarizable models;Journal of Molecular Liquids;2024-01

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3. Self-Diffusion Coefficient of Water in the Presence of Alkali Halide Ions;Hungarian Journal of Industry and Chemistry;2023-07-04

4. Alkali halide force fields: Search for versatility;Journal of Molecular Liquids;2022-09

5. Polarizable force fields for accurate molecular simulations of aqueous solutions of electrolytes, crystalline salts, and solubility: Li+, Na+, K+, Rb+, F−, Cl−, Br−, I−;Journal of Molecular Liquids;2022-09