. "14"^^ . . "Reliability of various models commonly used for the description of interaction of transition metal ions with zeolite matrices was investigated and discused. Currently the most reliable combined quantum mechanics/molecular mechanics model was used for the study of copper ion interaction with high-silica zeolite matrices (ZSM-5,FER). The interaction of copper sites inside the zeolite matrices with NO molecule was also investigated." . "Kluwer Academic" . "672397" . . . "ZSM-5; - copper ions coordination; - UV-VIS"@en . "Ab initio Simulation of Cu-Species in Zeolites: Siting, Coordination, UV-VIS Spectra and Reactivity."@en . "3"^^ . "0"^^ . "Ab initio Simulation of Cu-Species in Zeolites: Siting, Coordination, UV-VIS Spectra and Reactivity."@en . "0"^^ . . "Ab initio Simulation of Cu-Species in Zeolites: Siting, Coordination, UV-VIS Spectra and Reactivity." . "Ab initio Simulation of Cu-Species in Zeolites: Siting, Coordination, UV-VIS Spectra and Reactivity." . . "RIV/61388955:_____/01:54010081!RIV/2003/AV0/A54003/N" . "2"^^ . . "221;234" . "Praha-Pr\u016Fhonice [CZ]" . "Reliability of various models commonly used for the description of interaction of transition metal ions with zeolite matrices was investigated and discused. Currently the most reliable combined quantum mechanics/molecular mechanics model was used for the study of copper ion interaction with high-silica zeolite matrices (ZSM-5,FER). The interaction of copper sites inside the zeolite matrices with NO molecule was also investigated."@en . "Sauer, J." . . "[A70D0B52EDFD]" . . . . "P(GA203/97/P011), P(LN00A032), Z(AV0Z4040901)" . "Proceedings of the NATO Advanced Research Workshop on Catalysis by Unique Metal Ion Structures in Solid Matrices." . . "2000-07-04+02:00"^^ . . "Dordrecht" . . . . "Nachtigallov\u00E1, Dana" . . . "Nachtigall, Petr" . "RIV/61388955:_____/01:54010081" . . .