Density functional theory calculations of solid nitromethane under hydrostatic and uniaxial compressions with empirical van der Waals correction

Journal of Physical Chemistry A

Volumn 113, Issue 15, 2009, Pages 3610-3614

  Conroy, M W ^a   Oleynik, I I ^a   Zybin, S V ^b   White, C T ^c  

^a UNIVERSITY OF SOUTH FLORIDA   (United States)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^c NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPIC BEHAVIORS; COMPRESSION DIRECTIONS; CONSTITUTIVE RELATIONSHIPS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DISPERSION CORRECTIONS; EXPERIMENTAL DATUM; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORIES; HYDROSTATIC EQUATIONS; NITROMETHANE; PRINCIPAL STRESS; SCALE PROPERTIES; SHOCK SENSITIVITIES; UNI-AXIAL COMPRESSIONS; UNIT-CELL PARAMETERS; VAN DER WAALS; VAN DER WAALS CORRECTIONS; ZERO PRESSURES;

ANISOTROPY; COMPACTION; DATA COMPRESSION; EQUATIONS OF STATE; HYDRAULICS; HYDRODYNAMICS; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 64849097433     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp809843k     Document Type: Article

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