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Mechanism of the Asymmetric Autocatalytic Soai Reaction Studied by Density Functional Theory

✍ Scribed by Luca Schiaffino; Gianfranco Ercolani


Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
380 KB
Volume
16
Category
Article
ISSN
0947-6539

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We present results from ab initio and density functional theory studies of the mechanism for serine hydrolase catalyzed ester hydrolysis. A model system containing both the catalytic triad and the oxyanion hole was studied. The catalytic triad was represented by formate anion, imidazole, and methano