Vapor–Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization-Reference-Cited by-同舟云学术

Vapor–Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization

Published:2015-04-03 Issue:15 Volume:119 Page:5010-5019
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Chialvo Ariel A.¹,Moucka Filip²,Vlcek Lukas¹³,Nezbeda Ivo²⁴

Affiliation:

1. Chemical Sciences Division, Geochemistry and Interfacial Sciences Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110, United States

2. Faculty of Science, J. E. Purkinje University, 40096 Usti nad Labem, Czech Republic

3. Joint Institute for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6173, United States

4. E. Hala Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals Academy of Sciences, 16502 Prague 6, Czech Republic

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.5b00595

Reference77 articles.

1. A reappraisal of what we have learnt during three decades of computer simulations on water

2. Limitations of the rigid planar nonpolarizable models of water

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