Continuum Electrostatics Model for an SN2 Reaction in Supercritical Water
- 1 October 1995
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 99 (43) , 16136-16143
- https://doi.org/10.1021/j100043a065
Abstract
No abstract availableThis publication has 9 references indexed in Scilit:
- Temperature and Density Effects on an SN2 Reaction in Supercritical WaterThe Journal of Physical Chemistry, 1995
- Computer Simulation Study of an SN2 Reaction in Supercritical WaterThe Journal of Physical Chemistry, 1995
- Ion association and liquid structure in supercritical water solutions of sodium chloride: a microscopic view from molecular dynamics simulationsChemical Engineering Science, 1994
- Simulation of the Na+Cl- Ion Pair in Supercritical WaterThe Journal of Physical Chemistry, 1994
- UV-visible absorbance spectroscopy of organic probes in supercritical waterThe Journal of Physical Chemistry, 1994
- Charge-transfer-state formation in supercritical fluid: (N,N-dimethylamino)benzonitrile in trifluoromethaneThe Journal of Physical Chemistry, 1988
- Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysisProteins-Structure Function and Bioinformatics, 1988
- Energetics of charge–charge interactions in proteinsProteins-Structure Function and Bioinformatics, 1988
- Calculation of the electric potential in the active site cleft due to α-helix dipolesJournal of Molecular Biology, 1982