Functionalization of [60] fullerene with butadienes: A DFT study

Applied Surface Science

Volumn 258, Issue 22, 2012, Pages 8980-8984

  Beheshtian, Javad ^a   Peyghan, Ali Ahmadi ^b   Bagheri, Zargham ^b  

^a SHAHID RAJAEE TEACHER TRAINING UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

2,3 Dimethylbutadiene; Cycloaddition; Density functional theory; Functionalization

Indexed keywords

CYCLOADDITION; ELECTRON EMISSION; FIELD EMISSION; FULLERENES; MOLECULES;

2,3-DIMETHYLBUTADIENE; DENSITY-FUNCTIONAL STUDY; DIELS-ALDER REACTION; FIELD ELECTRON EMISSIONS; FUNCTIONALIZATIONS; HOMO-LUMO ENERGY GAP; POTENTIAL BARRIERS; REGIO-SELECTIVE;

DENSITY FUNCTIONAL THEORY;

EID: 84863519106     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.05.134     Document Type: Article

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