Density functional theory study of structural, vibrational, and thermodynamic properties of crystalline 2,4-dinitrophenol, 2,4-dinitroresorcinol, and 4,6-dinitroresorcinol

Journal of Molecular Structure: THEOCHEM

Volumn 895, Issue 1-3, 2009, Pages 131-137

  Zhu, Weihua ^a   Wei, Tao ^a   Zhang, Xiaowen ^a   Xiao, Heming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Density functional theory; Density of states; Thermodynamic properties; Vibrational properties

Indexed keywords

EID: 58249141316     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.10.037     Document Type: Article

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