Prediction of isothermal equation of state of an explosive nitrate ester by van der Waals density functional theory

Journal of Physical Chemistry Letters

Volumn 1, Issue 1, 2010, Pages 346-348

  Landerville, Aaron C ^a   Conroy, Michael W ^a   Oleynik, Ivan I ^a   White, Carter T ^b  

^a UNIVERSITY OF SOUTH FLORIDA   (United States)

^b NAVAL RESEARCH LABORATORY   (United States)

Author keywords

Medium effects; Statistical mechanics; Thermodynamics

Indexed keywords

DENSITY-FUNCTIONAL CALCULATIONS; ENERGETIC MATERIAL; EQUILIBRIUM PROPERTIES; HYDROSTATIC EQUATIONS; ISOTHERMAL EQUATION OF STATE; MEDIUM EFFECT; MEDIUM EFFECTS; NITRATE ESTERS; VAN DER WAALS; VAN DER WAALS CORRECTION;

EQUATIONS OF STATE; ESTERIFICATION; ESTERS; STATISTICAL MECHANICS; THERMODYNAMICS; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 77149121829     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz900026j     Document Type: Article

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