Effective Force Field for Liquid Hydrogen Fluoride from Ab Initio Molecular Dynamics Simulation Using the Force-Matching Method-Reference-Cited by-同舟云学术

Effective Force Field for Liquid Hydrogen Fluoride from Ab Initio Molecular Dynamics Simulation Using the Force-Matching Method

Published:2005-01-19 Issue:14 Volume:109 Page:6573-6586
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Izvekov Sergei¹,Voth Gregory A.¹

Affiliation:

1. Department of Chemistry and Center for Biophysical Modeling and Simulation, University of Utah, 315 South 1400 East Room 2020, Salt Lake City, Utah 84112-0850

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/jp0456685

Reference64 articles.

1. Structure and dynamics of associated molecular systems. I. Computer simulation of liquid hydrogen fluoride

2. Quantum and statistical studies of liquids. 1. An intermolecular potential function for the hydrogen fluoride dimer from ab initio 6-31G computations

3. Quantum and statistical mechanical studies of liquids. 2. Monte-Carlo simulations of liquid hydrogen fluoride

4. Structural studies of liquid hydrogen fluoride by neutron diffraction

5. The crystal structure of deuterium fluoride

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