An optimised molecular model for ammonia

Molecular Physics

Volumn 106, Issue 8, 2008, Pages 1039-1046

  Eckl, Bernhard ^a   Vrabec, Jadran ^a   Hasse, Hans ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

Author keywords

Ammonia; Critical properties; Molecular modelling; Radial distribution function; Vapour liquid equilibrium

Indexed keywords

DISTRIBUTION FUNCTIONS; EQUATIONS OF STATE; EQUATIONS OF STATE OF LIQUIDS; MOLECULAR MECHANICS; MOLECULAR MODELING; PHASE EQUILIBRIA; STRUCTURAL OPTIMIZATION; THERMODYNAMIC PROPERTIES; VAPOR PRESSURE;

AB-INITIO; CRITICAL POINT; CRITICAL PROPERTIES; EQUATION OF STATE; EXPERIMENTAL DATA; HIGH-PRECISION; LENNARD-JONES POTENTIALS; MOLECULAR MODELLING; OPTIMISATION; QUANTUM-MECHANICAL CALCULATIONS; RADIAL DISTRIBUTION FUNCTION; RADIAL DISTRIBUTION FUNCTIONS; REPULSIVE INTERACTIONS; SATURATED LIQUID DENSITIES; STRUCTURAL INFORMATIONS; SUPERCRITICAL REGIONS; TEMPERATURE RANGES; TRIPLE POINTS; VAPOUR PRESSURES; VAPOUR-LIQUID EQUILIBRIUM;

AMMONIA;

EID: 48349101683     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802112137     Document Type: Article

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