Computationally designed zirconium organometallic catalyst for direct epoxidation of alkenes without allylic H atoms: aromatic linkage eliminates formation of inert octahedral complexes

Theoretical Chemistry Accounts

Volumn 135, Issue 1, 2016, Pages 1-19

  Yang, Bo ^a   Manz, Thomas A ^a  

^a Horeshoe Cir Jett Hall   (United States)

Author keywords

Alkene epoxidation; Computational catalysis; Ethylene epoxidation; Ethylene oxide; Organometallic complexes; Selective oxidation

Indexed keywords

EID: 84953248914     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-015-1789-1     Document Type: Article

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