Theoretical infrared spectrum and revised assignment for para-nitrophenol. Density functional theory studies

Chemical Physics

Volumn 250, Issue 2, 1999, Pages 123-129

  Abkowicz Bieńko, Agnieszka J ^a   Latajka, Zdzisław ^a   Bieńko, Dariusz C ^b   Michalska, Danuta ^b  

^a UNIVERSITY OF WROC AW   (Poland)

^b WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Ab initio; DFT; Hydrogen bond; IR spectrum; Nitrophenol; Vibrational frequencies

Indexed keywords

EID: 0033261976     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(99)00296-7     Document Type: Article

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