Intermolecular potential for the hexahydro-1,3,5-trinitro-1,3,5-s-triazine crystal (RDX): A crystal packing, Monte Carlo, and molecular dynamics study

Journal of Physical Chemistry B

Volumn 101, Issue 5, 1997, Pages 798-808

  Sorescu, Dan C ^a,c   Rice, Betsy M ^b   Thompson, Donald L ^a  

^a OKLAHOMA STATE UNIVERSITY   (United States)

^b U S ARMY RESEARCH LABORATORY   (United States)

^c UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS MATERIALS; ATOMS; CALCULATIONS; COMPUTER SIMULATION; CRYSTAL STRUCTURE; INTERFACES (MATERIALS); MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULES; MONTE CARLO METHODS; SURFACE PHENOMENA; THERMAL EXPANSION;

ATOM ATOM INTERACTIONS; BUCKINGHAM INTERACTION; CRYSTAL PACKING; HEXAHYDROTRINITROTRIAZINE; INTERMOLECULAR POTENTIAL ENERGY; THERMAL EXPANSION COEFFICIENT;

MOLECULAR CRYSTALS;

EID: 0030737066     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9624865     Document Type: Article

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