Formation of hydronium ions on Brønsted sites in zeolitic catalysts: a quantum-chemical ab initio study
- 28 September 1990
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 173 (1) , 26-32
- https://doi.org/10.1016/0009-2614(90)85297-p
Abstract
No abstract availableThis publication has 9 references indexed in Scilit:
- Brønsted sites in zeolitic catalysts. An ab initio study of local geometries and of the barrier for proton jumps between neighbouring sitesChemical Physics Letters, 1989
- Electronic structure calculations on workstation computers: The program system turbomoleChemical Physics Letters, 1989
- Adsorption of water on ZSM 5 zeolitesThe Journal of Physical Chemistry, 1989
- Improvements on the direct SCF methodJournal of Computational Chemistry, 1989
- Molecular models in ab initio studies of solids and surfaces: from ionic crystals and semiconductors to catalystsChemical Reviews, 1989
- Ab initio determination of the proton affinities of small neutral and anionic moleculesJournal of Computational Chemistry, 1986
- Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivativesJournal of the American Chemical Society, 1979
- Theoretical models incorporating electron correlationInternational Journal of Quantum Chemistry, 1976
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965