"Computational and variable temperature infrared spectroscopic studies on carbon monoxide adsorption on the zeolite Ca-A"@en . "7" . . "RIV/61388963:_____/09:00331220" . "Nachtigall, Petr" . "307937" . "2"^^ . . . "Computational and variable temperature infrared spectroscopic studies on carbon monoxide adsorption on the zeolite Ca-A"@en . . "Computational and variable temperature infrared spectroscopic studies on carbon monoxide adsorption on the zeolite Ca-A" . . "[FE632704CA24]" . . . "ChemPhysChem" . . "000266292000010" . . "Carbon monoxide adsorption on the LTA-type zeolite Ca-A was studied by a combination of variable-temperature infrared spectroscopy and computational methods involving periodic density functional calculations and correlation between stretching frequency and bond length of adsorbed CO (omegaCO/rCO correlation). Based on agreement among calculated and experimental results, the main adsorption species identified were bridged Ca2+...CO...Ca2+ complexes formed on dual cation sites constituted by a pair of nearby Ca2+ cations." . "DE - Spolkov\u00E1 republika N\u011Bmecko" . "DFT; FTIR"@en . . . . "RIV/61388963:_____/09:00331220!RIV10-MSM-61388963" . "Are\u00E1n, C. O." . "1439-4235" . . . "Pulido, Maria Angeles" . "Delgado, M. R." . "Pulido, Maria Angeles" . "P(GA203/06/0324), P(LC512), Z(AV0Z40550506), Z(MSM0021620857), Z(MSM6383917201)" . . "8"^^ . . . . "Computational and variable temperature infrared spectroscopic studies on carbon monoxide adsorption on the zeolite Ca-A" . "10" . "Carbon monoxide adsorption on the LTA-type zeolite Ca-A was studied by a combination of variable-temperature infrared spectroscopy and computational methods involving periodic density functional calculations and correlation between stretching frequency and bond length of adsorbed CO (omegaCO/rCO correlation). Based on agreement among calculated and experimental results, the main adsorption species identified were bridged Ca2+...CO...Ca2+ complexes formed on dual cation sites constituted by a pair of nearby Ca2+ cations."@en . "4"^^ . .