Explaining the HOMO and LUMO distribution on individual ligands in mer-Alq3 and its "CH"/N substituted derivatives

Journal of Molecular Structure: THEOCHEM

Volumn 850, Issue 1-3, 2008, Pages 79-83

  Irfan, Ahmad ^a   Cui, Ruihai ^b,c   Zhang, Jingping ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b HARBIN UNIVERSITY   (China)

^c HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

"CH" N substituted derivatives; Energy partitioning analysis; FMOs distribution pattern; Instantaneous interaction energy; mer Alq3

Indexed keywords

EID: 38149087435     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.10.029     Document Type: Article

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