Dispersion-corrected DFT study on the structure and absorption properties of crystalline 5-nitro-2,4-dihydro-1,2,4-triazole-3-one under compression

Structural Chemistry

Volumn 26, Issue 2, 2015, Pages 477-484

  Wu, Qiong ^a   Zhu, Weihua ^a   Xiao, Heming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Absorption spectra; Decomposition; Dispersion corrected DFT; High pressure; NTO; Polymerization

Indexed keywords

EID: 84925011199     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-014-0506-3     Document Type: Article

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