A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics-Reference-Cited by-同舟云学术

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A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics

Published:2019-11-20 Issue:7 Volume:41 Page:619-628
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Hughes Zak E.¹²³^ORCID,Ren Emmanuel¹²,Thacker Joseph C. R.¹²,Symons Benjamin C. B.¹²,Silva Arnaldo F.¹²,Popelier Paul L. A.¹²^ORCID

Affiliation:

1. Manchester Institute of Biotechnology, The University of Manchester Manchester M1 7DN United Kingdom

2. Department of ChemistryThe University of Manchester Manchester M13 9PL United Kingdom

3. School of Chemistry and Biosciences, University of Bradford Bradford BD7 1DP United Kingdom

Funder

Engineering and Physical Sciences Research Council

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26111

Reference67 articles.

1. Holy Grails for Computational Organic Chemistry and Biochemistry

2. Why Is MP2-Water “Cooler” and “Denser” than DFT-Water?

3. Perspective: How good is DFT for water?

4. Ab initio theory and modeling of water

5. An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications

Cited by 24 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials;The Journal of Chemical Physics;2024-05-01

2. FFLUX molecular simulations driven by atomic Gaussian process regression models;Journal of Computational Chemistry;2024-02-12

3. Interacting Quantum Atoms and Multipolar Electrostatic Study of XH···π Interactions;ACS Omega;2023-09-14

4. Decorated crown ethers as selective ion traps: Solvent’s role in crown’s preference towards a specific ion;Journal of Molecular Liquids;2023-07

5. Can Machine Learning Predict the Phase Behavior of Surfactants?;The Journal of Physical Chemistry B;2023-04-12

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