Hydrogen fluoride phase behavior and molecular structure: Ab initio derived potential models

Scott J. Wierzchowski; David A. Kofke

doi:10.1063/1.1602068

Hydrogen fluoride phase behavior and molecular structure: Ab initio derived potential models

Scott J. Wierzchowski
, David A. Kofke

Department of Chemical and Biological Engineering

SUNY Buffalo

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

Hydrogen fluoride phase behavior and molecular structure were investigated. The effect of including versus neglecting an Ewald sum for the long-range dipole-dipole interactions was considered. The density and radial distribution function each at two state points were examined by Monte Carlo simulations.

Original language	English
Pages (from-to)	6092-6099
Number of pages	8
Journal	Journal of Chemical Physics
Volume	119
Issue number	12
DOIs	https://doi.org/10.1063/1.1602068
State	Published - Sep 22 2003

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abstract = "Hydrogen fluoride phase behavior and molecular structure were investigated. The effect of including versus neglecting an Ewald sum for the long-range dipole-dipole interactions was considered. The density and radial distribution function each at two state points were examined by Monte Carlo simulations.",

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AU - Kofke, David A.

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N2 - Hydrogen fluoride phase behavior and molecular structure were investigated. The effect of including versus neglecting an Ewald sum for the long-range dipole-dipole interactions was considered. The density and radial distribution function each at two state points were examined by Monte Carlo simulations.

AB - Hydrogen fluoride phase behavior and molecular structure were investigated. The effect of including versus neglecting an Ewald sum for the long-range dipole-dipole interactions was considered. The density and radial distribution function each at two state points were examined by Monte Carlo simulations.

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DO - 10.1063/1.1602068

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JF - Journal of Chemical Physics

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Hydrogen fluoride phase behavior and molecular structure: Ab initio derived potential models

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