Enhancement of molecular polarizabilities by the push-pull mechanism: A DFT study of substituted hexatriene

Materials Science and Engineering: B

Volumn 169, Issue 1-3, 2010, Pages 28-32

  Labidi, N S ^a   Djebaili, A ^b  

^a UNIVERSITÉ DES SCIENCES ET DE LA TECHNOLOGIE D ORAN MOHAMED BOUDIAF   (Algeria)

^b UNIVERSITY OF BATNA   (Algeria)

Author keywords

DFT; Hexatriene; PM6; Polarizability; Push pull

Indexed keywords

NITROGEN OXIDES;

CORRELATION COEFFICIENT; DFT; DFT STUDY; DOUBLE BONDS; HEXATRIENE; MOLECULAR POLARIZABILITIES; PM6; POLARIZABILITIES; PUSH PULL; STATIC POLARIZABILITIES;

POLARIZATION;

EID: 77953135258     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mseb.2009.12.043     Document Type: Article

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