Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions-Reference-Cited by-同舟云学术

Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions

Published:2015-06-02 Issue:7 Volume:11 Page:2938-2944
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fischer Nina M.¹,van Maaren Paul J.¹,Ditz Jonas C.¹,Yildirim Ahmet²,van der Spoel David¹

Affiliation:

1. Uppsala Centre for Computational Chemistry, Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden

2. Department of Physics, Faculty of Science and Art, Siirt University, 56100 Siirt, Turkey

Funder

Vetenskapsrådet

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00190

Reference47 articles.

1. Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

2. Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation

3. Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

4. Development and testing of a general amber force field

5. Surface Tension of Organic Liquids Using the OPLS/AA Force Field

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