"The preferred Cu+ sites and formation of mono-, di-, and tricarbonyl complexes in the Cu-FER were investigated at the periodic density functional theory level and by means of FTIR spectroscopy. The site-specificity of adsorption enthalpies of CO on Cu-FER and of vibrational frequencies of polycarbonyl complexes were investigated for various Cu+ sites in Cu-FER."@en . . . . . "On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study" . "Stabilita polykarbonylov\u00FDch komplex\u016F (mono-, di- a tri-) v Cu-FER byla studov\u00E1na pomoc\u00ED periodick\u00FDch DFT (density functional) v\u00FDpo\u010Dt\u016F a s pou\u017Eit\u00EDm FTIR spektroskopie. Adsorp\u010Dn\u00ED entalpie a vibra\u010Dn\u00ED CO frekvence pro r\u016Fzn\u00E1 aktivn\u00ED centra v syst\u00E9mu Cu-FER byly zkoum\u00E1ny s ohledem na mo\u017Enost jejich rozli\u0161en\u00ED v I\u010C spektrech."@cs . "[1B7FEA3D0539]" . "8"^^ . . . "490506" . . "Drobn\u00E1, H." . "3"^^ . "Nachtigall, Petr" . . "Rube\u0161, Miroslav" . "The preferred Cu+ sites and formation of mono-, di-, and tricarbonyl complexes in the Cu-FER were investigated at the periodic density functional theory level and by means of FTIR spectroscopy. The site-specificity of adsorption enthalpies of CO on Cu-FER and of vibrational frequencies of polycarbonyl complexes were investigated for various Cu+ sites in Cu-FER." . . . "P(GA203/06/0324), P(IAA400550613), P(LC512), Z(AV0Z40550506)" . . . "1463-9076" . . . . . . "vibrational dynamics; IR spectroscopy; periodic DFT"@en . "5"^^ . . . "RIV/61388963:_____/06:00047109!RIV07-AV0-61388963" . "On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study" . "Physical Chemistry Chemical Physics" . "RIV/61388963:_____/06:00047109" . "On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study"@en . . "5535;5542" . "Experiment\u00E1ln\u00ED a teoretick\u00E9 studium polykarbonylov\u00FDch komplex\u016F v Cu-zeolitech"@cs . "47" . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . "8" . "Bludsk\u00FD, Ota" . "Experiment\u00E1ln\u00ED a teoretick\u00E9 studium polykarbonylov\u00FDch komplex\u016F v Cu-zeolitech"@cs . . "On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study"@en . "Bul\u00E1nek, R." .