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Catalytic activity of the first solvation shell in the CO2 hydration reaction

✍ Scribed by W. A. Sokalski; A. Sawaryn; H. Chojnacki

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
386 KB
Volume
24
Category
Article
ISSN
0020-7608

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## Abstract The quantum chemical model for predicting the optimal molecular environment exerting the highest catalytic activity on transition complex has been proposed. It was applied for the CO~2~ hydration reaction at the nonempirical LCAO MO SCF level. The possible use of the resulting optimal c