A direct evaluation of the partition function and thermodynamic data for water at high temperatures

Journal of Physical Chemistry A

Volumn 106, Issue 25, 2002, Pages 6193-6200

  Prudente, Frederico V ^a,b   Varandas, Antonio J C ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b FEDERAL UNIVERSITY OF BAHIA   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

HELMHOLTZ FUNCTION; HYBRID METHOD; PHASE-SPACE INTEGRALS; QUANTUM CALCULATIONS; ROVIBRATIONAL PARTITION FUNCTION;

APPROXIMATION THEORY; CALCULATIONS; ENTROPY; HIGH TEMPERATURE EFFECTS; MOLECULAR VIBRATIONS; MONTE CARLO METHODS; PRESSURE EFFECTS; QUANTUM THEORY; SPECIFIC HEAT; STATISTICAL MECHANICS;

WATER;

EID: 0037183027     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020797b     Document Type: Article

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