Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (51), 19824-19839
- https://doi.org/10.1021/jp961710n
Abstract
No abstract availableKeywords
This publication has 39 references indexed in Scilit:
- The MIDI! basis set for quantum mechanical calculations of molecular geometries and partial chargesTheoretical Chemistry Accounts, 1996
- A Semiempirical Quantum Mechanical Solvation Model for Solvation Free Energies in All Alkane SolventsThe Journal of Physical Chemistry, 1995
- A precise analytical method for calculating the electrostatic energy of macromolecules in aqueous solutionJournal of Molecular Biology, 1990
- Ionization potentials and electron affinities in aqueous solutionJournal of the American Chemical Society, 1986
- Solvation energy in protein folding and bindingNature, 1986
- Affinities of phosphoric acids, esters, and amides for solvent waterJournal of the American Chemical Society, 1983
- The interpretation of protein structures: Estimation of static accessibilityJournal of Molecular Biology, 1971
- “Squiggle-H2O”. An enquiry into the importance of solvation effects in phosphate ester and anhydride reactionsBiochimica et Biophysica Acta (BBA) - Bioenergetics, 1970
- A Semiempirical Treatment of molecular Structures. II. Molecular Terms and Application to diatomic MoleculesJournal of the American Chemical Society, 1964
- Reduction potentials of various aromatic hydrocarbons and their univalent anionsRecueil des Travaux Chimiques des Pays-Bas, 1956