Approximation of the Mulliken-type charges for the oxygen atoms of all-siliceous zeolites

A.V. Larin, Laurence Leherte, D.P. Vercauteren

Unit of theoretical and structural physico-chemistry

Research output: Contribution to journal › Article › peer-review

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Distributed multipole analyses of zeolite and aluminophosphate frameworks calculated with a periodic Hartree-Fock Scheme
Leherte, L., Vercauteren, D. & Larin, A.
1/08/97 → 31/12/04
Project: Research
Study of the adsorption of diatomic molecules within zeolite A and Y type frameworks
Leherte, L., Vercauteren, D. & Larin, A.
1/08/96 → 31/12/04
Project: Research
PAI: Sciences of Interfacial and Mesoscopic Structures PAI-P3/49
Lucas, A., B.NAGY, J., Caudano, Y., Cecchet, F., DELHALLE, J., FONSECA, A., GHIJSEN, J., HANSENNE, C., Henrard, L., Lambin, P., Larin, A., Leherte, L., Marenne, I., Mayer, A., Mekhalif, Z., MOREAU, F., Peremans, A., Pireaux, J., Schievekamp, I., Silien, C., SIMONIS, P., THIRY, P., Vercauteren, D. & VIGNERON, J.
1/01/92 → 31/12/96
Project: Research