Force Field Benchmark of the TraPPE_UA for Polar Liquids: Density, Heat of Vaporization, Dielectric Constant, Surface Tension, Volumetric Expansion Coefficient, and Isothermal Compressibility-Reference-Cited by-同舟云学术

Force Field Benchmark of the TraPPE_UA for Polar Liquids: Density, Heat of Vaporization, Dielectric Constant, Surface Tension, Volumetric Expansion Coefficient, and Isothermal Compressibility

Published:2018-01-24 Issue:5 Volume:122 Page:1669-1678
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Núñez-Rojas Edgar¹^ORCID,Aguilar-Pineda Jorge Alberto²,Pérez de la Luz Alexander²,de Jesús González Edith Nadir²,Alejandre José²^ORCID

Affiliation:

1. Conacyt-Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, 09340 Cuidad de México, México

2. Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, 09340 Cuidad de México, México

Funder

Consejo Nacional de Ciencia y Tecnolog?a

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.7b10970

Reference68 articles.

1. Simulating water with rigid non-polarizable models: a general perspective

2. A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4Q