Electronegativity-equalization method for the calculation of atomic charges in molecules
Mortier, Wilfried J, Ghosh, Swapan K, Shankar, S
Published in Journal of the American Chemical Society (01.07.1986)
Published in Journal of the American Chemical Society (01.07.1986)
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Journal Article
Adsorption of the Butene Isomers in Faujasite: A Combined ab-Initio Theoretical and Experimental Study
Tielens, Frederik, Denayer, Joeri F. M, Daems, Inge, Baron, Gino V, Mortier, Wilfried J, Geerlings, Paul
Published in The journal of physical chemistry. B (09.10.2003)
Published in The journal of physical chemistry. B (09.10.2003)
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Journal Article
Electronegativity equalization: application and parametrization
Mortier, Wilfried J, Van Genechten, Karin, Gasteiger, Johann
Published in Journal of the American Chemical Society (01.02.1985)
Published in Journal of the American Chemical Society (01.02.1985)
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Journal Article
Probing the reactivity of different sites within a molecule or solid by direct computation of molecular sensitivities via an extension of the electronegativity equalization method
Baekelandt, Bart G, Mortier, Wilfried J, Lievens, Jan L, Schoonheydt, Robert A
Published in Journal of the American Chemical Society (01.08.1991)
Published in Journal of the American Chemical Society (01.08.1991)
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Journal Article
Comparison of Cluster and Infinite Crystal Calculations on Zeolites with the Electronegativity Equalization Method (EEM)
Janssens, Geert O. A, Baekelandt, Bart G, Toufar, Helge, Mortier, Wilfried J, Schoonheydt, Robert A
Published in Journal of physical chemistry (1952) (01.03.1995)
Published in Journal of physical chemistry (1952) (01.03.1995)
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Journal Article
Location of cations in synthetic zeolites–X and –Y. Part 5.—The cation distribution in Ca–Y, Ca–X and La–Y in the ultimate stages of dehydration
Costenoble, Martin L., Mortier, Wilfried J., Uytterhoeven, Jan B.
Published in Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases (1978)
Published in Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases (1978)
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Journal Article
Location of cations in synthetic zeolites X and Y. Part 4.—Exchange limiting factors for Ca2+ in zeolite Y
Costenoble, Martin L., Mortier, Wilfried J., Uytterhoeven, Jan B.
Published in Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases (1976)
Published in Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases (1976)
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Journal Article
Crystallographic study of the distribution of cations in Y-type zeolites containing FeII and FeIII
Pearce, John R., Mortier, Wilfried J., Uytterhoeven, Jan B., Lunsford, Jack H.
Published in Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases (1981)
Published in Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases (1981)
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Journal Article
Investigation of Supramolecular Systems by a Combination of the Electronegativity Equalization Method and a Monte Carlo Simulation Technique
Toufar, Helge, Baekelandt, Bart G, Janssens, Geert O. A, Mortier, Wilfried J, Schoonheydt, Robert A
Published in Journal of physical chemistry (1952) (01.09.1995)
Published in Journal of physical chemistry (1952) (01.09.1995)
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Journal Article
Temperature-dependent cation distribution in zeolites. 1. A statistical thermodynamical model
Van Dun, Jozef J, Mortier, Wilfried J
Published in Journal of physical chemistry (1952) (01.11.1988)
Published in Journal of physical chemistry (1952) (01.11.1988)
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Journal Article
Chabazite-containing molecular sieve, its synthesis and its use in the conversion of oxygenates to olefins
CAO GUANG,MERTENS MACHTELD M.,STROHMAIER KARL G.,HALL RICHARD B.,COLLE THOMAS H.,AFEWORKI MOBAE,BONS ANTONIE J.,MORTIER WILFRIED J.,KLIEWER CHRIS,LI HAILIAN,GURAM ANIL S.,SAXTON ROBERT J.,MURAKOA MARK
Year of Publication 28.02.2007
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Year of Publication 28.02.2007
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