Molecular and electronic structures as well as vibrational spectra assignment of biphenyl, 2,2′- and 4,4′-dichlorobiphenyl from density functional calculations

Journal of Molecular Structure: THEOCHEM

Volumn 763, Issue 1-3, 2006, Pages 67-73

  Zhang, Xianxi ^a,b,c   Xi, Rimo ^b   Liu, Jinting ^b   Jiang, Jianzhuang ^b   Wang, Ge ^c   Zeng, Qinghua ^a  

^a LIAOCHENG UNIVERSITY   (China)

^b SHANDONG UNIVERSITY   (China)

^c Shandong Yuanlong Bio Tech Company Ltd   (China)

Author keywords

Persistent organic pollutants (POPs); Theoretical calculation; Vibrational frequencies

Indexed keywords

EID: 33646178990     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.01.025     Document Type: Article

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