Non-empirical quantum mechanical calculations on pentasil-type zeolites
- 1 October 1983
- Vol. 3 (4), 306-310
- https://doi.org/10.1016/0144-2449(83)90174-4
Abstract
No abstract availableThis publication has 13 references indexed in Scilit:
- Non-empirical SCF molecular orbital studies on simple zeolite model systemsJournal of Molecular Structure: THEOCHEM, 1982
- A non-empirical molecular orbital study on loewenstein's rule and zeolite compositionJournal of Molecular Structure: THEOCHEM, 1981
- Crystal structure and structure-related properties of ZSM-5The Journal of Physical Chemistry, 1981
- Quantum chemical investigation of interaction sites in zeolites and silicaThe Journal of Physical Chemistry, 1980
- Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elementsJournal of the American Chemical Society, 1980
- Synthesis and structure of synthetic zeolite ZSM-11Nature, 1978
- Quantum chemical study of catalytic isomerization of olefins I. Allylic intermediate in the presence of a baseJournal of Catalysis, 1977
- Ab initio molecular orbital theoryAccounts of Chemical Research, 1976
- Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second-row molecules. A comparison of three basis setsThe Journal of Chemical Physics, 1976
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969