Density functional theory study of conformations, barriers to internal rotations and torsional potentials of polychlorinated biphenyls

Journal of Molecular Structure: THEOCHEM

Volumn 637, Issue 1-3, 2003, Pages 137-153

  Dorofeeva, Olga V ^a   Novikov, Vladimir P ^b   Moiseeva, Natalia F ^a   Yungman, Vladimir S ^a  

^a RUSSIAN ACADEMY OF SCIENCES   (Russian Federation)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Conformation; Density functional theory; Internal rotation; Polychlorinated biphenyls

Indexed keywords

POLYCHLORINATED BIPHENYL DERIVATIVE;

ACCURACY; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONFORMATION; ENERGY; ISOMERISM; ROTATION; STRUCTURE ANALYSIS; THEORETICAL MODEL; VIBRATION;

EID: 0141867585     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00530-X     Document Type: Article

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