Electrostatic water models
- 5 June 1992
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 42 (5) , 1237-1250
- https://doi.org/10.1002/qua.560420510
Abstract
No abstract availableKeywords
This publication has 36 references indexed in Scilit:
- Theoretical study of carbonic anhydrase‐catalyzed hydration of co2: A brief reviewInternational Journal of Quantum Chemistry, 1989
- Theoretical study of solvation effects on chemical reactions. A combined quantum chemical/Monte Carlo study of the Meyer-Schuster reaction mechanism in waterJournal of the American Chemical Society, 1989
- A theoretical study of the Meyer-Schuster reaction mechanism: minimum-energy profile and properties of transition-state structureJournal of the American Chemical Society, 1988
- Theoretical study of the uncatalyzed hydration of carbon dioxide in the gas phaseJournal of the American Chemical Society, 1986
- Mechanism of the spontaneous dehydration of bicarbonate ionJournal of the American Chemical Society, 1985
- Carbon kinetic isotope effects on the hydration of carbon dioxide and the dehydration of bicarbonate ionJournal of the American Chemical Society, 1984
- The bicarbonate proton in carbonic anhydrase catalysisJournal of the American Chemical Society, 1983
- Proton Transfer in the Catalytic Mechanism of Carbonic AnhydraseCritical Reviews in Biochemistry, 1983
- Ab initio molecular orbital calculations on the water-carbon dioxide system. Reaction pathway for water + carbon dioxide .fwdarw. carbonic acidJournal of the American Chemical Society, 1977
- Optimally conditioned optimization algorithms without line searchesMathematical Programming, 1975