. . "NL - Nizozemsko" . "[4C26B5DF3355]" . "Nachtigall, Petr" . . . "Koordinace mimom\u0159\u00ED\u017Ekov\u00FDch iont\u016F m\u011Bdi v zeolitu FER a tvorba mono- a di-karbonyl\u016F byla studov\u00E1na pomoc\u00ED peridick\u00E9 DFT. Vypo\u010Dten\u00E9 vibra\u010Dn\u00ED frekvence CO jsou ve v\u00FDborn\u00E9 shod\u011B s experiment\u00E1ln\u00EDmi daty. Na z\u00E1klad\u011B t\u00E9to shody je navr\u017Eena interpretace experiment\u00E1ln\u00EDch spektr\u00E1ln\u00EDch charakteristik na atom\u00E1rn\u00ED \u00FArovni."@cs . "RIV/61388963:_____/06:00043522" . "P(LC512), Z(AV0Z40550506), Z(MSM0021627501)" . "Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite" . . . "118;127" . "The coordination of extraframework Li+ cations in FER and the formation of mono- and di-carbonyl complexes in the Li+-FER zeolite were investigated using a periodic DFT model. Calculated CO stretching frequencies are in excellent agreement with experimental results, thus, the interpretation of experimental data at the atomic scale level is proposed." . . "10"^^ . . "The coordination of extraframework Li+ cations in FER and the formation of mono- and di-carbonyl complexes in the Li+-FER zeolite were investigated using a periodic DFT model. Calculated CO stretching frequencies are in excellent agreement with experimental results, thus, the interpretation of experimental data at the atomic scale level is proposed."@en . . "1" . "Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite"@en . . . "Teoretick\u00E1 studie site-specifick\u00FDch charakteristik adsorp\u010Dn\u00EDch komplex\u016F CO na Li+FER zeolitu"@cs . . "adsorption; spectroscopy; DFT"@en . "2"^^ . "1"^^ . "503694" . . "0926-860X" . . . "Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite" . . "RIV/61388963:_____/06:00043522!RIV07-AV0-61388963" . "307" . "Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite"@en . "Applied Catalysis A - General" . "Bul\u00E1nek, R." . . . "Teoretick\u00E1 studie site-specifick\u00FDch charakteristik adsorp\u010Dn\u00EDch komplex\u016F CO na Li+FER zeolitu"@cs .