Theoretical study of the propagation barrier of ethylene polymerization with TiR2 (R=OCH3 or CN): The importance of the β-agostic interactions

Journal of Molecular Structure: THEOCHEM

Volumn 762, Issue 1-3, 2006, Pages 9-15

  De Abreu, Heitor A ^a   De Almeida, Wagner B ^a   Duarte, Hélio A ^a   Fischer, Gerd ^b   Heine, Thomas ^b   Merino, Gabriel ^b,c   Seifert, Gotthard ^b  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^c UNIVERSITY OF GUANAJUATO   (Mexico)

Author keywords

Agostic interaction; Catalysis; DFT; Electron density; Topological analysis; Ziegler Natta

Indexed keywords

EID: 33646883251     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.08.041     Document Type: Article

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