Introducing phase transitions to quantum chemistry: From Trouton's rule to first principles vaporization entropies

Journal of Chemical Physics

Volumn 128, Issue 24, 2008, Pages

  Spickermann, Christian ^a   Lehmann, Sebastian B C ^a   Kirchner, Barbara ^a  

^a UNIVERSITY OF LEIPZIG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BOILING POINT; CALCULATIONS; ELECTRONIC STRUCTURE; ENTROPY; ERROR ANALYSIS; FLUIDS; FREE VOLUME; LAWS AND LEGISLATION; LIQUIDS; MECHANICS; OFFSHORE OIL WELL PRODUCTION; PARTITIONS (BUILDING); PHASE TRANSITIONS; PHOTOACOUSTIC EFFECT; QUANTUM CHEMISTRY; SEMICONDUCTOR MATERIALS; VAPORIZATION; WATER RECYCLING; WATER TREATMENT; WATER VAPOR;

(LIQUID + LIQUID) EQUILIBRIUM; AMERICAN INSTITUTE OF PHYSICS (AIP); BASIS SETS; COOPERATIVE EFFECTS; COOPERATIVITY; DEGREES OF FREEDOM; ELECTRONIC STRUCTURE METHODS; EQUILIBRIUM CALCULATIONS; EQUILIBRIUM PARTITIONING; EQUILIBRIUM PROPERTIES; FIRST PRINCIPLES; IDEAL GASES; IN LINE; IN ORDER; INDISTINGUISHABILITY; LIQUID VAPOR PHASE TRANSITION; LIQUID-PHASE; MANY-BODY; NORMAL BOILING POINTS; PARTITION FUNCTIONS; ROTATIONAL DEGREES OF FREEDOM (RDOF); TRANSITION (JEL CLASSIFICATIONS:E52 ,E41 ,E31); WATER CLUSTERS;

LIQUID PHASE EPITAXY;

EID: 46149084218     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2937894     Document Type: Article

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