Quantum Chemical Insights into the Mechanism of the TADDOL-TiCl2 Catalyzed Diels-Alder Reactions

Journal of Organic Chemistry

Volumn 63, Issue 7, 1998, Pages 2321-2324

  Garcia J I ^a   Martinez Merino V ^b   Mayoral, J A ^a  

^a UNIVERSITY OF ZARAGOZA   (Spain)

^b PUBLIC UNIVERSITY OF NAVARRE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001396335     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo972174d     Document Type: Article

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41. In the case of the titanium atom, the Wachters-Hay all-electron basis set is used instead of 6-311G, which is not described for this element: (a) Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033. (b) Hay P. J. J. Chem. Phys. 1977, 66, 4377. Raghavachari, K: Trucks, G. W. J. Chem. Phys. 1989, 91, 1062.
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