Theoretical study on intermolecular interactions of 3-nitro-1,2,4-triazol- 5-one with NH3 and H2O

Acta Chimica Sinica

Volumn 63, Issue 12, 2005, Pages 1055-1061

  Fang, Guo Yong ^a,b   Xu, Li Na ^a,b   Xiao, He Ming ^a   Ju, Xue Hai ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b WENZHOU UNIVERSITY   (China)

Author keywords

3 nitro 1,2,4 triazol 5 one; Ammonia; Density functional theory; Intermolecular interaction; Natural bond orbital analysis; Thermodynamic property; Water

Indexed keywords

EID: 33745000016     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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