Molecular dynamics simulations of the melting of 1,3,3-trinitroazetidine

Journal of Physical Chemistry B

Volumn 110, Issue 11, 2006, Pages 5721-5726

  Agrawal, Paras M ^a,d   Rice, Betsy M ^b   Zheng, Lianqing ^c   Velardez, Gustavo F ^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 Oklahoma State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTAL STRUCTURE; ISOTHERMS; LATTICE CONSTANTS; MELTING; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; THERMODYNAMICS;

1,3,3-TRINITROAZETIDINE (TNAZ); AMBER FORCE FIELD; PRESSURE DERIVATIVE; RIGID-MOLECULE FORCE FIELD;

ORGANIC COMPOUNDS;

EID: 33645666812     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp056690g     Document Type: Article

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