Easy methods to study the smart energetic TNT/CL-20 co-crystal

Journal of Molecular Modeling

Volumn 19, Issue 11, 2013, Pages 4909-4917

  Li, Huarong ^a,b   Shu, Yuanjie ^a   Gao, Shijie ^c   Chen, Ling ^a   Ma, Qing ^a,b   Ju, Xuehai ^b  

^a RESEARCH CENTER OF LASER FUSION   (China)

^b NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c SHANDONG UNIVERSITY OF TRADITIONAL CHINESE MEDICINE   (China)

Author keywords

Intermolecular interaction; Smart explosive; Structure and properties; TNT CL 20 co crystal

Indexed keywords

2,4,6,8,10,12 HEXANITRO 2,4,6,8,10,12 HEXAAZAISOWURTZITANE; EXPLOSIVE; TRINITROTOLUENE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; COVALENT BOND; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; NON COVALENT INTERACTION; PRIORITY JOURNAL;

EID: 84888294228     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1988-4     Document Type: Article

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