Ab initio pair potentials and phase equilibria predictions of halogenated compounds
Authors: Sum A.K.; Sandler S.I.1; Naicker P.K.
Source: Fluid Phase Equilibria, Volume 199, Number 1, 30 June 2002 , pp. 5-13(9)
Publisher: Elsevier
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Keywords: Molecular simulation; Quantum mechanics; Interaction potential; Phase behavior
Language: English
Document Type: Research article
DOI: 10.1016/S0378-3812(01)00795-6
Affiliations: 1: Department of Chemical Engineering, Center for Molecular and Engineering Thermodynamics, University of Delaware, 19716, Newark, DE, USA
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