Microscopic models for quantum mechanical calculations of chemical processes in solutions: LD/AMPAC and SCAAS/AMPAC calculations of solvation energies
- 1 March 1992
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 13 (2) , 199-213
- https://doi.org/10.1002/jcc.540130212
Abstract
No abstract availableKeywords
This publication has 47 references indexed in Scilit:
- Enzymes work by solvation substitution rather than by desolvation.Proceedings of the National Academy of Sciences, 1989
- Nonequilibrium solvation effects on reaction rates for model SN2 reactions in waterThe Journal of Chemical Physics, 1989
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985
- Calculations of electrostatic interactions in biological systems and in solutionsQuarterly Reviews of Biophysics, 1984
- On the theory of solvent effectsTheoretical Chemistry Accounts, 1978
- The development of quantum mechanical solvent effect models. Macroscopic electrostatic contributionsJournal of the American Chemical Society, 1976
- Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozymeJournal of Molecular Biology, 1976
- A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximationInternational Journal of Quantum Chemistry, 1976
- The Solvent Effect: Recent DevelopmentsPublished by Springer Nature ,1976
- Solvations: a semi-empirical procedure for including solvation in quantum mechanical calculations of large moleculesChemical Physics Letters, 1967