Molecular dynamics simulations of hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX) using a combined sorescu-rice-thompson AMBER force field

Journal of Physical Chemistry B

Volumn 110, Issue 51, 2006, Pages 26185-26188

  Agrawal, Paras M ^a,d   Rice, Betsy M ^b   Zheng, Lianqing ^c   Thompson, Donald L ^c  

^a OKLAHOMA STATE UNIVERSITY   (United States)

^b U S ARMY RESEARCH LABORATORY   (United States)

^c UNIVERSITY OF MISSOURI   (United States)

^d Mewar Girls Institute of Management and Technology   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; CRYSTALLINE MATERIALS; LATTICE CONSTANTS; MELTING; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION;

CRYSTAL DENSITY; INTRAMOLECULAR INTERACTIONS; MELTING POINT; MOLECULAR DYNAMICS SIMULATIONS;

AMINES;

EID: 33846344288     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp065241t     Document Type: Article

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