Theoretical modelling of kinetic isotope effects for glycoside hydrolysis in aqueous solution by a hybrid quantum-mechanical/molecular-mechanical method

Chemical Communications

Volumn , Issue 2, 1996, Pages 193-194

  Barnes, John A ^a   Williams, Ian H ^a  

^a UNIVERSITY OF BATH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000604201     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/cc9960000193     Document Type: Article

References (9)

1. T. L. Amyes and W. P. Jencks, J. Am. Chem. Soc., 1989, 111, 7888.
2. N. S. Banait and W. P. Jencks, J. Am. Chem. Soc., 1991, 113, 7051.
3. M. J. Field, P. A. Bash and M. Karplus, J. Comp. Chem., 1990, 11, 700.
4. M. J. S. Dewar, E. G. Zoebisch, E. F. Healy and J. J. P. Siewart, J. Am. Chem. Soc., 1985, 107, 3902.
5. W. L. Jorgensen, J. Chandrasekhar, J. Madura, R. W. Impey and M. L. Klein, J. Chem. Phys., 1983, 79, 926.
6. B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan and M. Karplus, J. Comput. Chem., 1983, 4, 187.
7. F. Mentch, D. W. Parkin and V. L. Schramm, Biochemistry, 1987, 26, 921.
8. L. Melander and W. H. Saunders, Reaction Rates of Isotopic Molecules, Wiley Interscience, New York, 1980.
9. D. W. Parkin and V. L. Schramm, Biochemistry, 1987, 26, 913.