Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine

Journal of Physical Chemistry B

Volumn 109, Issue 40, 2005, Pages 18974-18982

  Wick, Collin D ^a,b   Stubbs, John M ^a,c   Rai, Neeraj ^a   Siepmann, J Ilja ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

^b NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

^c GRINNELL COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETAMIDES; AMIDE FUNCTIONALITIES; BOILING TEMPERATURES; PYRIMIDINE;

AMINES; BINARY MIXTURES; BOILING LIQUIDS; CHARGE TRANSFER; COMPUTER SIMULATION; ERRORS; MONTE CARLO METHODS; NITROGEN COMPOUNDS;

PHASE EQUILIBRIA;

AMIDE; AMINE; NITRILE; NITRO DERIVATIVE; PYRIDINE DERIVATIVE; PYRIMIDINE DERIVATIVE;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; PHASE TRANSITION;

AMIDES; AMINES; COMPUTER SIMULATION; NITRILES; NITRO COMPOUNDS; PHASE TRANSITION; PYRIDINES; PYRIMIDINES;

EID: 27144459049     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0504827     Document Type: Article

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