Computational models for proton transfer in biological systems
- 1 May 1990
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 37 (5), 701-711
- https://doi.org/10.1002/qua.560370508
Abstract
No abstract availableKeywords
This publication has 18 references indexed in Scilit:
- Extensive theoretical studies of the hydrogen-bonded complexes (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H−, and (NH3)2The Journal of Chemical Physics, 1986
- Molecular orbital study of the complexes (AHn)2H+ formed from ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, and hydrogen chlorideThe Journal of Physical Chemistry, 1985
- Theoretical studies of proton transfersAccounts of Chemical Research, 1985
- Theoretical analysis of proton transfers in symmetric and asymmetric systemsThe Journal of Physical Chemistry, 1985
- Calculations of electrostatic interactions in biological systems and in solutionsQuarterly Reviews of Biophysics, 1984
- Current problems in mechanistic studies of serine and cysteine proteinasesBiochemical Journal, 1982
- Optimization of equilibrium geometries and transition structuresJournal of Computational Chemistry, 1982
- Theoretical calculations on proton-transfer energetics: studies of methanol, imidazole, formic acid, and methaneethiol as models for the serine and cysteine proteasesJournal of the American Chemical Society, 1981
- Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row MoleculesThe Journal of Chemical Physics, 1970
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969