Quantification of Solvent Effects on the Acidities of Z and E Esters from Fluid Simulations
- 1 November 1994
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 116 (23) , 10630-10638
- https://doi.org/10.1021/ja00102a032
Abstract
No abstract availableThis publication has 7 references indexed in Scilit:
- The potential to surpriseNature, 1993
- Monte Carlo simulations of liquid acetic acid and methyl acetate with the OPLS potential functionsThe Journal of Physical Chemistry, 1991
- A single crystal molecular structure determination and theoretical calculations on alkynyl carboxylate estersJournal of the American Chemical Society, 1990
- Cis-trans energy difference for the peptide bond in the gas phase and in aqueous solutionJournal of the American Chemical Society, 1988
- Ab initio calculation of Broensted aciditiesJournal of the American Chemical Society, 1988
- Ab initio study of structures and binding energies for anion-water complexesJournal of the American Chemical Society, 1986
- Directional hydrogen bonding to sp2- and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactionsJournal of the American Chemical Society, 1984