Simulation of Hydroxyl Groups in ZSM-5 Zeolites
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Elsevier
Reference8 articles.
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1. Dehydrated and Cs+-Exchanged MFI Zeolites: Location and Population of Cs+ from In Situ Diffraction Data as a Function of Temperature and Degree of Exchange;The Journal of Physical Chemistry B;2005-12-08
2. The influence of the geometric parameters on the electronic properties of faujasite cluster models as derived from density functional theory and Hartree Fock–self consistent field methods;Journal of Molecular Catalysis A: Chemical;1998-03
3. The influence of the nature and size of the cluster models on the electronic properties of zeolites in molecular modelling studies;Recent Advances In Basic and Applied Aspects of Industrial Catalysis, Proceedings of 13th National Symposium and Silver Jubilee Symposium of Catalysis of India;1998
4. Adsorption energies of NH3 and NH+4 in zeolites corrected for the long‐range electrostatic potential of the crystal;The Journal of Chemical Physics;1994-10
5. Proton transfer in zeolites: a comparison between cluster and crystal calculations;Modelling and Simulation in Materials Science and Engineering;1994-07-01
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