Bond angle distributions of carbon dioxide in the gas, supercritical, and solid phases

Journal of Physical Chemistry A

Volumn 113, Issue 10, 2009, Pages 2053-2059

  Anderson, Kelly E ^a   Mielke, Steven L ^a   Ilja, J Siepmann ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AGGREGATION STATE; BOND VECTORS; BOND-ANGLE DISTRIBUTIONS; CLASSICAL LIMITS; COLLINEAR ARRANGEMENTS; CONSTANT-VOLUME HEAT CAPACITIES; DENSITY FUNCTIONAL; FEYNMAN PATH INTEGRALS; FIRST PRINCIPLES MOLECULAR DYNAMICS; IDEAL GAS; INTER-MOLECULAR INTERACTIONS; INTERACTION POTENTIALS; INTRAMOLECULAR STRUCTURES; JACOBIANS; LINEAR MOLECULES; MONTE CARLO SIMULATIONS; NUCLEAR QUANTUM EFFECTS; PHASE DEPENDENCES; SOLID PHASIS; SUPER-CRITICAL; SUPERCRITICAL PHASE; TEMPERATURE DEPENDENCES;

CARBON DIOXIDE; DENSITY FUNCTIONAL THEORY; DYNAMICS; FUSED SILICA; MOLECULAR DYNAMICS; MONTE CARLO METHODS; MOSFET DEVICES; QUANTUM THEORY; SEMICONDUCTOR QUANTUM WIRES;

SUPERCRITICAL FLUID EXTRACTION;

EID: 63849131525     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp808711y     Document Type: Article

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