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Journal of Physical Chemistry C

Volumn 112, Issue 39, 2008, Pages 15412-15418

Structure of the methanol liquid-vapor interface: A comprehensive particle-based simulation study

(4) Kuo, I F William a Mundy, Christopher J b McGrath, Matthew J c Siepmann, J Ilja c

a LAWRENCE LIVERMORE NATIONAL LABORATORY (United States)

b PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

c UNIVERSITY OF MINNESOTA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CORRELATION TIMES; FIXED CHARGES; INTERACTION POTENTIALS; INTERFACIAL WIDTHS; MOLECULAR DIPOLE MOMENTS; ORIENTATIONAL RELAXATIONS; RADIAL DISTRIBUTION FUNCTIONS; SIMULATION STUDIES; VAPOR INTERFACES;

BINDING SITES; DIPOLE MOMENT; DISTRIBUTION FUNCTIONS; ELECTRIC DIPOLE MOMENTS; ELECTRONIC PROPERTIES; HYDROGEN; HYDROGEN BONDS; LIQUIDS; METHANOL; MOLECULAR OXYGEN; OXYGEN; SURFACE RELAXATION; VAPORS;

DENSITY FUNCTIONAL THEORY;

EID: 54249163460 PISSN: 19327447 EISSN: 19327455 Source Type: Journal
DOI: 10.1021/jp8037126 Document Type: Article

Times cited : (24)

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