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Development of force fields for binary systems: Application to a dimethylsulfoxide (DMSO) – Oxygen mixture

  • Published:2019-11 Issue: Volume:735 Page:136778
  • ISSN:0009-2614
  • Container-title:Chemical Physics Letters
  • language:en
  • Short-container-title:Chemical Physics Letters

Author:

Belletti G.D.,Schulte E.,Colombo E.,Schmickler W.,Quaino P.

Funder

Santa Fe Science Technology and Innovation Agency

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference35 articles.

1. Understanding Molecular Simulation: From Algorithms to Applications;Frenkel,2002

2. The Art of Molecular Dynamics Simulation;Rapaport,2004

3. Computer simulation of solid and liquid benzene with an atomistic interaction potential derived from ab initio calculations;Cacelli;J. Am. Chem. Soc.,2004

4. Effects of temperature on the properties of glycerol: a computer simulation study of five different force fields;Jahn;J. Phys. Chem. B,2014

5. Potential energy functions for atomic-level simulations of water and organic and biomolecular systems;Jorgensen;Proc. Natl. Acad. Sci.,2005
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