Ab initio study of the structures and dynamic stereochemistry of biaryls

Journal of Molecular Structure: THEOCHEM

Volumn 717, Issue 1-3, 2005, Pages 41-51

  Nori Shargh, Davood ^a,b   Asadzadeh, Sakineh ^a   Ghanizadeh, Fatemeh Rozita ^b   Deyhimi, Farzad ^c   Amini, Mostafa Mohammadpour ^c   Jameh Bozorghi, Saeed ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c SHAHID BEHESHTI UNIVERSITY   (Iran)

Author keywords

Ab initio; Biaryls; Dynamic behavior; Molecular modelling; Sterochemistry

Indexed keywords

1 PHENYLANTHRACENE; 1 PHENYLNAPHTHALENE; 1,1' BIANTHRACENE; 1,1' BINAPHTHANE; 1,1' NAPHTHYLANTHRACENE; 1,9' NAPHTHYLANTHRACENE; 9 PHENYLANTHRACENE; 9,9' BIANTHRACENE; ANTHRACENE DERIVATIVE; AROMATIC COMPOUND; BIPHENYL DERIVATIVE; NAPHTHALENE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; EMPIRICISM; ENERGY; EQUILIBRIUM CONSTANT; EXAMINATION; GEOMETRY; MOLECULAR DYNAMICS; ROTATION; STEREOCHEMISTRY;

EID: 14844289548     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.11.022     Document Type: Article

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