Extension of a charged anisotropic united atoms model to polycyclic aromatic compounds

Journal of Physical Chemistry B

Volumn 114, Issue 19, 2010, Pages 6522-6530

  Creton, Benoit ^a   De Bruin, Theodorus ^a   Lachet, Véronique ^a   Nieto Draghi, Carlos ^a  

^a IFP ENERGIES NOUVELLES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; AROMATIZATION; ATOMS; FORECASTING; NAPHTHALENE; OPTIMIZATION; POLYCYCLIC AROMATIC HYDROCARBONS; QUANTUM THEORY; THERMODYNAMICS; VISCOMETERS; VISCOSITY;

ANISOTROPIC UNITED ATOM; AROMATIC MOLECULES; AROMATIC RINGS; ERROR CRITERION; HIGH PRESSURE; LENNARD-JONES PARAMETERS; METHYLNAPHTHALENE; POINT CHARGE; POLYCYCLIC AROMATIC COMPOUNDS; POTENTIAL MODEL; QUADRUPOLAR MOMENTS; QUANTUM-MECHANICAL CALCULATION; QUATERNARY CARBON; RELATIVE ERRORS; THERMODYNAMIC DATA; VAPOR PRESSURE DATA; VAPORIZATION ENTHALPIES;

AROMATIC HYDROCARBONS;

EID: 77952520553     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp101649g     Document Type: Article

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