Correlation analysis of the substituent electronic effects on the Mulliken charge. Resonance and field effects of substituents at para-substituted styrenyl fullerene

Journal of Molecular Structure: THEOCHEM

Volumn 909, Issue 1-3, 2009, Pages 107-110

  Saleh, Basil A ^a   Essa, Ali Hashem ^a   Al Shawi, Sabih A O ^a   Jalbout, Abraham F ^b  

^a UNIVERSITY OF BASRAH   (Iraq)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Density functional theory (DFT); Fullerene derivatives; Mulliken charges (QM); Reynolds' model; Substituent electronic effects

Indexed keywords

EID: 67650735194     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.06.002     Document Type: Article

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