"RIV/61388963:_____/07:00088853!RIV08-AV0-61388963" . "Aplikace kvantov\u011Bchemick\u00FDch metod pro studium zeolit\u016F"@cs . "978-0-444-52066-1" . "Zeolites and Ordered Mesoporous Materials: Progress and Prospects" . . . . "1"^^ . "quantum chemistry; zeolites; modeling"@en . "410574" . "1"^^ . . . "Applications of quantum chemical methods in zeolite science" . "The reliability of method for electronic structure calculations and models used in zeolite modeling is briefly reviewed. Only traditional ab initio methods and methods based on the density functional theory are discussed. Periodic, cluster, and combined models are described and their suitability for investigation of various properties is discussed. This contribution is written for non-experts in computational chemistry." . "Pr\u00E1ce stru\u010Dn\u011B popisuje spolehlivost metod a model\u016F pro v\u00FDpo\u010Det elektronov\u00E9 struktury zeolit\u016F. Pouze tradi\u010Dn\u00ED ab initio metody a metody zalo\u017Een\u00E9 na funkcion\u00E1lu hustoty jsou uva\u017Eov\u00E1ny. V\u00FDhody a nev\u00FDhody periodick\u00FDch, klatrov\u00FDch a kombinovan\u00FDch model\u016F jsou distkutov\u00E1ny. Pr\u00E1ce je koncipov\u00E1na jako \u00FAvodn\u00ED p\u0159edhled pro za\u010D\u00E1te\u010Dn\u00EDky ve v\u00FDpo\u010Detn\u00ED chemii."@cs . "243;262" . . "RIV/61388963:_____/07:00088853" . . . "Amsterdam" . . . . . "Z(AV0Z40550506)" . . . "Elsevier" . "20"^^ . "Applications of quantum chemical methods in zeolite science"@en . "Aplikace kvantov\u011Bchemick\u00FDch metod pro studium zeolit\u016F"@cs . "Applications of quantum chemical methods in zeolite science" . "The reliability of method for electronic structure calculations and models used in zeolite modeling is briefly reviewed. Only traditional ab initio methods and methods based on the density functional theory are discussed. Periodic, cluster, and combined models are described and their suitability for investigation of various properties is discussed. This contribution is written for non-experts in computational chemistry."@en . "Studies in Surface Science and Catalysis, 157" . "Nachtigall, Petr" . "[1F4A61AA4CE8]" . "Applications of quantum chemical methods in zeolite science"@en . .