Mortier, Wilfried J.: search on Z-Library

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1

Synthesis of sodium zirconium phosphates

Dominique P. Vliers, Wilfried J. Mortier, Robert A. Schoonheydt

Journal:

Year:

1986

Language:

english

File:

PDF, 665 KB

english, 1986

2

Electronegativity-equalization method for the calculation of atomic charges in molecules

Mortier, Wilfried J., Ghosh, Swapan K., Shankar, S.

Journal:

Journal of the American Chemical Society

Year:

1986

Language:

english

File:

PDF, 713 KB

english, 1986

3

Intrinsic framework electronegativity: A novel concept in solid state chemistry

Van Genechten, Karin A., Mortier, Wilfried J., Geerlings, Paul

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 871 KB

english, 1987

4

Influence of the overall composition on zeolite properties. 1. The framework: an infrared spectroscopic and quantum chemical study

Datka, Jerzy, Geerlings, Paul, Mortier, Wilfried, Jacobs, Peter

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 734 KB

english, 1985

5

Influence of the overall composition on zeolite properties. 2. Framework hydroxyls: a quantum chemical study

Datka, Jerzy, Geerlings, Paul, Mortier, Wilfried, Jacobs, Peter

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 737 KB

english, 1985

6

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.

Journal:

Journal of the Chemical Society Faraday Transactions 1

Year:

1981

Language:

english

File:

PDF, 775 KB

english, 1981

7

An attempt to rationalize stretching frequencies of lattice hydroxyl groups in hydrogen-zeolites

Peter A. Jacobs, Wilfried J. Mortier

Journal:

Year:

1982

Language:

english

File:

PDF, 425 KB

english, 1982

8

Quantitative approach to molecular interactions using the electronegativity equalization method

Uytterhoeven, Lieve, Mortier, Wilfried J.

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1992

Language:

english

File:

PDF, 565 KB

english, 1992

9

Framework electronegativity: a novel concept in solid state chemistry

Van Genechten, Karin, Mortier, Wilfried, Geerlings, Paul

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1986

Language:

english

File:

PDF, 258 KB

english, 1986

10

Average local electrostatic potential and the core-valency separation in atoms

K. D. Sen, T. V. Gayatri, R. Krishnaveni, M. Kakkar, Helge Toufar, Geert O. A. Janssens, Bart G. Baekelandt, Robert A. Schoonheydt, Wilfried J. Mortier

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 572 KB

english, 1995

11

Properties of zeolites in relation to their electronegativity: Acidity, carboniogenic activity and strength of interaction in transition metal complexes

Peter A. Jacobs, Wilfried J. Mortier, Jan B. Uytterhoeven

Journal:

Journal of Inorganic and Nuclear Chemistry

Year:

1978

Language:

english

File:

PDF, 484 KB

english, 1978

12

The influence of isomorphous substitution on the cation distribution in faujasite-type zeolites; The structures of dehydrated Na-LZ210 and hydrated KGaY

Jozef J. Van Dun, Kristine Dhaeze, Wilfried J. Mortier, David E.W. Vaughan

Journal:

Journal of Physics and Chemistry of Solids

Year:

1989

Language:

english

File:

PDF, 925 KB

english, 1989

13

The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines

Yang, Weitao., Mortier, Wilfried J.

Journal:

Journal of the American Chemical Society

Year:

1986

Language:

english

File:

PDF, 550 KB

english, 1986

14

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.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 629 KB

english, 1995

15

Characterization of COK-5, Member of a New Family of Zeolite Material with Multiple Channel Systems

Kirschhock, Christine, Bons, Anton-Jan, Mertens, Machteld, Ravishankar, Raman, Mortier, Wilfried, Jacobs, Pierre, Martens, Johan

Journal:

Chemistry of Materials

Year:

2005

Language:

english

File:

PDF, 1.03 MB

english, 2005

16

Influence of the framework composition on the cation-site energy: the structures of dehydrated NaxHGaY (x = 54, 36, and 21) zeolites

Lievens, Jan L., Mortier, Wilfried J., Verduijn, Johannes P.

Journal:

Journal of Physical Chemistry

Year:

1992

Language:

english

File:

PDF, 1.21 MB

english, 1992

17

Influence of the temperature on the cation distribution in dehydrated and hydrated SrY zeolites

Jozef J. Van Dun, Wilfried J. Mortier

Journal:

Year:

1987

Language:

english

File:

PDF, 506 KB

english, 1987

18

Interaction of surface hydroxyls with adsorbed molecules. A quantum-chemical study

Geerlings, Paul, Tariel, Nicholas, Botrel, Alain, Lissillour, Roland, Mortier, Wilfried J.

Journal:

Journal of Physical Chemistry

Year:

1984

Language:

english

File:

PDF, 938 KB

english, 1984

19

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.

Journal:

Journal of the American Chemical Society

Year:

1991

Language:

english

File:

PDF, 520 KB

english, 1991

20

Location of cations in synthetic zeolites–X and –Y. Part 6.—Influence of X-ray irradiation on the location of exchangeable cations

Costenoble, Martin L., Mortier, Wilfried J., Uytterhoeven, Jan B.

Journal:

Journal of the Chemical Society Faraday Transactions 1

Year:

1978

Language:

english

File:

PDF, 570 KB

english, 1978

21

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

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 129 KB

english, 2003

22

Temperature-dependent cation distribution in zeolites. 1. A statistical thermodynamical model

Van Dun, Jozef J., Mortier, Wilfried J.

Journal:

Journal of Physical Chemistry

Year:

1988

Language:

english

File:

PDF, 825 KB

english, 1988

23

Relating Pore Structure to Activity at the Subcrystal Level for ZSM-5: An Electron Backscattering Diffraction and Fluorescence Microscopy Study

Roeffaers, Maarten B. J., Ameloot, Rob, Bons, Anton-Jan, Mortier, Wilfried, De Cremer, Gert, de Kloe, René, Hofkens, Johan, De Vos, Dirk E., Sels, Bert F.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 536 KB

english, 2008

24

Temperature-dependent cation distribution in zeolites. 2. Dehydrated NaxHY (x = 13, 23, 42, 54), Ca15HY, and Sr27Y

Van Dun, Jozef J., Dhaeze, Kristine, Mortier, Wilfried J.

Journal:

Journal of Physical Chemistry

Year:

1988

Language:

english

File:

PDF, 939 KB

english, 1988

25

Charge sensitivity analysis of the interaction of pyrrole with basic FAU-type zeolites using the electronegativity equalization method

Ralf Heidler, Geert O.A. Janssens, Wilfried J. Mortier, Robert A. Schoonheydt

Journal:

Microporous Materials

Year:

1997

Language:

english

File:

PDF, 835 KB

english, 1997

26

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.

Journal:

Journal of the Chemical Society Faraday Transactions 1

Year:

1976

Language:

english

File:

PDF, 547 KB

english, 1976

27

Cation site energies in high-silica FAU-type zeolites

Jan L. Lievens, Wilfried J. Mortier, Chao Kuei-Jung

Journal:

Journal of Physics and Chemistry of Solids

Year:

1992

Language:

english

File:

PDF, 509 KB

english, 1992

28

Theoretical investigations on the interaction of benzene with faujasite

Uytterhoeven, Lieve, Dompas, Dirk, Mortier, Wilfried J.

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1992

Language:

english

File:

PDF, 938 KB

english, 1992

29

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.

Journal:

Journal of the Chemical Society Faraday Transactions 1

Year:

1978

Language:

english

File:

PDF, 850 KB

english, 1978

30

Crystallographic study of the distribution of chromium cations in X and Y zeolites

Pearce, John R., Mortier, Wilfried J.

Journal:

Journal of the Chemical Society Faraday Transactions 1

Year:

1981

Language:

english

File:

PDF, 713 KB

english, 1981

31

Effects of dehydration and X-ray irradiation on the structure of MnNa Y zeolite

Pearce, John R., Mortier, Wilfried J., Uytterhoeven, Jan B., Lunsford, J. H.

Journal:

Journal of the Chemical Society Faraday Transactions 1

Year:

1979

Language:

english

File:

PDF, 647 KB

english, 1979

32

Analysis of the Zeolite-Catalyzed H-Exchange Reaction of Methane Using Atom-In-Molecule Reactivity Indexes

Janssens, Geert O. A., Toufar, Helge, Baekelandt, Bart G., Mortier, Wilfried J., Schoonheydt, Robert A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 486 KB

english, 1996

33

On the relation between electronic and nuclear vibrations via the response matrix derived from semiempirical density functional-based sensitivity analysis

Geert O. A. Janssens, Bart G. Baekelandt, Helge Toufar, Wilfried J. Mortier, Robert A. Schoonheydt

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 655 KB

english, 1995

34

Cation site energies in dehydrated KFI-type zeolites: d-NaKFI, d-NaHKFI, and d-KKFI

Jan L. Lievens, Johnannes P. Verduijn, Wilfried J. Mortier

Journal:

Year:

1992

Language:

english

File:

PDF, 4.03 MB

english, 1992

35

Oxidation–reduction behaviour of highly dispersed ruthenium in RuNaY zeolite

Pearce, John R., Mortier, Wilfried J., Uytterhoeven, Jan B.

Journal:

Journal of the Chemical Society Faraday Transactions 1

Year:

1979

Language:

english

File:

PDF, 669 KB

english, 1979

36

High-flux MFI membranes

Jonas Hedlund, Johan Sterte, Marc Anthonis, Anton-Jan Bons, Barbara Carstensen, Ned Corcoran, Don Cox, Harry Deckman, Wim De Gijnst, Peter-Paul de Moor, Frank Lai, Jim McHenry, Wilfried Mortier, Juan

Journal:

Microporous and Mesoporous Materials

Year:

2002

Language:

english

File:

PDF, 307 KB

english, 2002

37

Electronegativity equalization: application and parametrization

Mortier, Wilfried J., Van Genechten, Karin, Gasteiger, Johann

Journal:

Journal of the American Chemical Society

Year:

1985

Language:

english

File:

PDF, 847 KB

english, 1985

38

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.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 3.02 MB

english, 1995

39

Influence of the structure type on the intrinsic framework electronegativity and the charge distribution in zeolites with SiO2 composition

Karin A. Van Genechten, Wilfried J. Mortier

Journal:

Year:

1988

Language:

english

File:

PDF, 873 KB

english, 1988

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