Transferable potentials for phase equilibria. 10. Explicit-hydrogen description of substituted benzenes and polycyclic aromatic compounds

Journal of Physical Chemistry B

Volumn 117, Issue 1, 2013, Pages 273-288

  Rai, Neeraj ^a   Siepmann, J Ilja ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTHRACENE; BENZENE; BINARY MIXTURES; CARBON; HYDROGEN; HYDROGEN BONDS; ISOMERS; LIQUIDS; MONTE CARLO METHODS; PHASE EQUILIBRIA; PHENOLS; SYSTEMS (METALLURGICAL); THIOPHENE; VAPORS;

1 ,4-BENZOQUINONE; AROMATIC LINKER; BENZIMIDAZOLES; BENZONITRILES; BENZOTHIAZOLES; BENZOXAZOLE; BINARY SYSTEMS; BROMOBENZENE; CARBON ATOMS; CRITICAL DENSITY; CRITICAL TEMPERATURES; DIHYDROXYBENZENES; EXOCYCLIC GROUPS; FLUOROBENZENE; FORCE FIELDS; GIBBS ENSEMBLE; HETEROCYCLES; HEXACHLOROBENZENE; INDAZOLE; LIQUID PHASE; MONTE CARLO SIMULATION; MULTIPLE RING; NORMAL BOILING POINTS; PARAMETRIZATIONS; PERCENTAGE ERROR; POLYCYCLIC AROMATIC COMPOUNDS; SATURATED LIQUID DENSITIES; SUBSTITUTED BENZENES; TRANSFERABLE POTENTIALS; VAPOR-LIQUID COEXISTENCE CURVE;

NAPHTHALENE;

EID: 84872358327     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp307328x     Document Type: Article

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