Acidity Differences between Inorganic Solids Induced by Their Framework Structure. A Combined Quantum Mechanics/Molecular Mechanics ab Initio Study on Zeolites
- 1 February 1998
- journal article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 120 (7) , 1556-1570
- https://doi.org/10.1021/ja9729037
Abstract
No abstract availableKeywords
This publication has 63 references indexed in Scilit:
- Combining ab initio techniques with analytical potential functions. A study of zeolite-adsorbate interactions for NH3 on H-faujasiteJournal of Molecular Catalysis A: Chemical, 1997
- Struktur und Dynamik von Methanol in einem ZeolithenAngewandte Chemie, 1996
- Relationship between Differential Heats of Adsorption and Brønsted Acid Strengths of Acidic Zeolites: H-ZSM-5 and H-MordeniteJournal of the American Chemical Society, 1996
- Embedded Cluster Model for the ab Initio Study of Broensted Acidity in ZeolitesThe Journal of Physical Chemistry, 1994
- Proton transfer in zeolites: a comparison between cluster and crystal calculationsModelling and Simulation in Materials Science and Engineering, 1994
- 1H NMR Chemical Shifts of Ammonia, Methanol, and Water Molecules Interacting with Broensted Acid Sites of Zeolite Catalysts: Ab-Initio CalculationsThe Journal of Physical Chemistry, 1994
- Ab initio molecular orbital cluster studies of the zeolite ZSM-5. 1. Proton affinitiesThe Journal of Physical Chemistry, 1993
- Ammonium in zeolites: coordination and solvation effectsThe Journal of Physical Chemistry, 1993
- Investigation of the distribution of acidity strength in zeolites by temperature-programmed desorption of probe molecules. 2. Dealuminated Y-type zeolitesThe Journal of Physical Chemistry, 1991
- Investigation of the distribution of acidity in zeolites by temperature-programmed desorption of probe molecules. I. Dealuminated mordenitesThe Journal of Physical Chemistry, 1990