Density functional theory calculations of pressure effects on the vibrational structure of α-RDX

Journal of Physical Chemistry A

Volumn 112, Issue 47, 2008, Pages 12228-12234

  Miao, M S ^a   Dreger, Z A ^a   Winey, J M ^a   Gupta, Y M ^a  

^a WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMBIENT CONDITIONS; AMBIENT PRESSURES; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPERIMENTAL DATUMS; EXPERIMENTAL VALUES; FREQUENCY SHIFTS; FUNCTIONAL APPROACHES; INTERNAL MODES; LATTICE MODES; PRESSURE SHIFTS; SINGLE MOLECULES; VIBRATIONAL FREQUENCIES; VIBRATIONAL STRUCTURES;

DENSITY FUNCTIONAL THEORY; EXPERIMENTS; FREQUENCY SHIFT KEYING; LATTICE CONSTANTS; PRESSURE EFFECTS; VAN DER WAALS FORCES;

LATTICE VIBRATIONS;

EID: 57449102082     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp807285u     Document Type: Article

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