. "676144" . "1089-5647" . . "P(GA203/00/0637), P(GA203/97/P011), Z(AV0Z4040901)" . "RIV/61388955:_____/01:54010069" . "3"^^ . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . . . "Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra." . "The interaction of the Cu+ ion in the lowest 3d(10) singlet and 3d(9)s(1) triplet states with the ferrierite matrix is studies computationally by means of a combined quantum mechanics/interatomic potential function technique. Contrary to ZSM-5, the sites on the wall of the main and perpendicular channels of ferrierite are more stable than the sites located on the channel intersection. It is suggested that the differences in populations of sites on the channel intersection found for ZSM-5 and ferrierite."@en . . "RIV/61388955:_____/01:54010069!RIV/2003/AV0/A54003/N" . . "3"^^ . "0"^^ . "0"^^ . "Journal of Physical Chemistry. B" . "17" . . . "Davidov\u00E1, Mark\u00E9ta" . "ZSM-5; - copper coordination; - catalysis"@en . "Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra."@en . . . "Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra."@en . "Nachtigall, Petr" . . . "Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra." . . "The interaction of the Cu+ ion in the lowest 3d(10) singlet and 3d(9)s(1) triplet states with the ferrierite matrix is studies computationally by means of a combined quantum mechanics/interatomic potential function technique. Contrary to ZSM-5, the sites on the wall of the main and perpendicular channels of ferrierite are more stable than the sites located on the channel intersection. It is suggested that the differences in populations of sites on the channel intersection found for ZSM-5 and ferrierite." . . "Nachtigallov\u00E1, Dana" . "[A7C45BECD32C]" . . "8"^^ . . . . "105" . . . "3510;3517" .