DFT Study on Mechanism of Olefin Hydroalumination by XAIBui2 in the Presence of Cp2ZrCl2 Catalyst. I.Simulation of intermediate Formation in Reaction of HAlBui 2 with Cp2ZrCl2

Organometallics

Volumn 28, Issue 4, 2009, Pages 968-977

  Pankratyev, Evgeniy Yu ^a   Tyumkina, Tatyana V ^a   Parfenova, Lyudmila V ^a   Khalilov, Leonard M ^a   Khursan, Sergey L ^b   Dzhemilev, Usein M ^a  

^a INSTITUTE OF PETROCHEMISTRY AND CATALYSIS   (Russian Federation)

^b INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BIMETALLIC COMPLEXES; DFT CALCULATIONS; DFT STUDIES; HYDROALUMINATION; HYDROMETALATION; INTERMEDIATE FORMATIONS; STATIONARY POINTS;

OLEFINS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SULFUR COMPOUNDS; SURFACE REACTIONS; ZIRCONIUM ALLOYS;

COORDINATION REACTIONS;

EID: 64549100290     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om800393j     Document Type: Article

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