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Ketene Reactions with the Aminoxyl Radical TEMPO: Preparative, Kinetic, and Theoretical Studies

โœ Scribed by Allen, Annette D.; Cheng, Bernice; Fenwick, Michael H.; Givehchi, Babak; Henry-Riyad, Huda; Nikolaev, Valerij A.; Shikhova, Elena Aleksadrovna; Tahmassebi, Daryoush; Tidwell, Thomas T.; Wang, Silas


Book ID
126273365
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
111 KB
Volume
66
Category
Article
ISSN
0022-3263

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## Abstract The reaction of a F atom with an NCO radical was studied at 6โ€311+g\* level, using DFT methods. All geometries, vibrational frequencies, and energies of different stationary points were calculated by HF, UMP2, and DFT methods, and the results agreed with the experimental values. The vib