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Catalysis Mediated by Hydrogen Bonding: A Computational Study of the Aminolysis of 6-Chloropyrimidine

✍ Scribed by Rankin, Kathryn N.; Gauld, James W.; Boyd, Russell J.

Book ID
126187832
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
116 KB
Volume
122
Category
Article
ISSN
0002-7863

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Potential energy surfaces for the epoxidations of 2-propen-l-ol with dioxirane (DHD) and dimethyldioxirane (DMD) were investigated at the B3LYP/6-3IG\* level. Seven transition structures (TSs) were located for the reaction of DI-ID. The four chemically more significant TSs were located also for the