Performance of density functionals for modeling vapor liquid equilibria of CO2and SO2-Reference-Cited by-同舟云学术

Performance of density functionals for modeling vapor liquid equilibria of CO2and SO2

Published:2017-11-21 Issue:8 Volume:39 Page:397-406
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Goel Himanshu¹,Windom Zachary W.¹,Jackson Amber A.¹,Rai Neeraj¹^ORCID

Affiliation:

1. Dave C. Swalm School of Chemical Engineering, and Center for Advanced Vehicular Systems, Mississippi State University, Mississippi State; MS 39762

Funder

National Science Foundation

National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy

Argonne Leadership Computing Facility (DOE Office of Science User Facility)

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference91 articles.

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4. Cassandra: An open source Monte Carlo package for molecular simulation

5. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

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