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1996

Molecular mechanical investigation of the energetics of butene sorbed in H-ferrierite

Jousse, F., Leherte, L. & Vercauteren, D. P., 1 Jan 1996, In : Molecular Simulation. 17, p. 175-196 22 p.

Research output: Contribution to journalArticle

1995

Storing, retrieving, and analyzing experimental catalyticdata with the help of artificial intelligence methods

Prevoo, H., Leherte, L., Vercauteren, D., Körting, E. & Derouane, E. G., 1 Jan 1995, In : Studies in surface science and catalysis. 94, p. 525-535 11 p.

Research output: Contribution to journalArticle

1994

Computerised structural analysis of zeolitic networks: Conceptualisation of a zeolite scene through graphs comparison

Latour, T., Leherte, L., Vercauteren, D. & Derouane, E. G., 1 Oct 1994, In : J. Comput.-Aided Materials Design . 1, p. 265-284 20 p.

Research output: Contribution to journalArticle

Molecular scene analysis: Application of a topological approach to the automated interpretation of protein electron-density maps

Leherte, L., Fortier, S., Glasgow, J. & Allen, F. H., 1 Jan 1994, In : Acta crystallographica. Section D. Biological crystallography. 50, 2, p. 155-166 12 p.

Research output: Contribution to journalArticle

1993

Molecular Scene Analysis: The Integration of Direct Methods and Artificial Intelligence Strategies for Solving Protein Crystal Structures

Fortier, S., Castleden, I., Gasgow, J., Conklin, D., Walmsley, C., Leherte, L. & Allen, F., 1993, In : Acta Cryst. D. 49, p. 168-178 11 p.

Research output: Contribution to journalArticle

1992

What Does Zeolitic Water Look Like? Modelization by Molecular Dynamics Simulations

Leherte, L., Andre, J-M., Derouane, E. G. & Vercauteren, D. P., 1992, In : Internat. J. Quantum Chem.. 42, 5, p. 1291-1326 36 p.

Research output: Contribution to journalArticle

1991

General discussion

Walton, J. P. R. B., Goodbody, S. J., Watanabe, K., MacGowan, D., Catlow, C. R. A., Suffritti, G. B., Demontis, P., Klein, M. L., Leherte, L., Demi, T., Nicholson, D., Yarwood, J., Kärger, J., Rowlinson, J. S., Noble, R. D., Tildesley, D. J., MacElroy, J. M. D., Lynden-Bell, R. M., Vessal, B., Ugliengo, P. & 3 others, Morantz, D. J., Petropoulos, J. H. & Gubbins, K. E., 1 Jan 1991, In : Journal of the Chemical Society, Faraday Transactions. 87, 13, p. 1997-2010 14 p.

Research output: Contribution to journalArticle

Molecular dynamics studies of sorbates in zeolites: water in ferrierite

Leherte, L., Andre, J-M., Derouane, E. G. & Vercauteren, D., 12 Sep 1991, In : Catalysis Today. 10, p. 177-200 24 p.

Research output: Contribution to journalArticle

Study of the water behavior into a ferrierite zeolite by molecular dynamics simulations

Leherte, L., Andre, J-M., Derouane, E. G. & Vercauteren, D. P., 1 Jan 1991, In : Computers and Chemistry. 15, 3, p. 273-285 13 p.

Research output: Contribution to journalArticle

1989

On the origin of an external surface barrier to sorption in microporous solids: Reply to F. Vigné-Maeder

Derouane, E. G., Leherte, L., Vercauteren, D. P., Lucas, A. A. & Andre, J-M., 1 Sep 1989, In : Journal of Catalysis. 119, 1, p. 266-268 3 p.

Research output: Contribution to journalArticle

1988

Determination of the self-diffusion coefficient of water in ferrierite by molecular dynamics

Leherte, L., Derouane, E. G., Andre, J-M., Lie, G. C., Swamy, K. N. & Clementi, E., 1 Apr 1988, In : Chemical Physics Letters. 145, 3, p. 237-241 5 p.

Research output: Contribution to journalArticle

Monte Carlo simulations of water interaction with a ferrierite type zeolite structure

Leherte, L., Vercauteren, D. P., Derouane, E. G. & Andre, J-M., 1 Jan 1988, In : Studies in surface science and catalysis. 37, C, p. 293-300 8 p.

Research output: Contribution to journalArticle