Ab initio studies on the conformations, thermodynamic properties and rotational isomerization of diphenylamine (DPA)

Journal of Molecular Structure: THEOCHEM

Volumn 489, Issue 2-3, 1999, Pages 151-157

  Xiao, Jime ^a,b   Gong, Xuedong ^b   Chiu, Yingnan ^a   Xiao, Heming ^b  

^a CATHOLIC UNIVERSITY OF AMERICA   (United States)

^b NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Ab initio method; Conformation; Diphenylamine (DPA); Rotational isomerization; Thermodynamic properties

Indexed keywords

DIPHENYLAMINE;

ARTICLE; CHEMICAL STRUCTURE; GEOMETRY; ISOMERISM; THERMODYNAMICS; VIBRATION;

EID: 0033595836     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00050-0     Document Type: Article

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