"Interakce mezi molekul\u00E1rn\u00EDm vod\u00EDkem a zeolitem Li-FER byla studov\u00E1na za n\u00EDzk\u00FDch teplot pomoc\u00ED VTIR spektroskopie a pomoc\u00ED periodick\u00E9ho DFT modelu. T\u0159i r\u016Fzn\u00E9 typy mimom\u0159\u00ED\u017Ekov\u00FDch kationt\u016F Li+ byly nalezeny z hlediska interakce s molekul\u00E1rn\u00EDm vod\u00EDkem. Dva z t\u011Bchto typ\u016F jsou schopny adsorbovat molekul\u00E1rn\u00ED vod\u00EDk. Vypo\u010Dten\u00E9 a experiment\u00E1ln\u00ED enthalpie jsou v dobr\u00E9 shod\u011B: .delta.H0 = -4.1 (+/-0.8) kJ/mol."@cs . "Delgado, M. R." . . "Garrone, E." . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . "Palomino, G. T." . . . "19" . . . . "FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER"@en . "2"^^ . . "RIV/61388963:_____/06:00043558" . "476428" . "The interaction, at a low temperature, between molecular hydrogen and the zeolite Li-FER was studied by means of variable-temperature infrared spectroscopy and theoretical calculations using a periodic DFT model. Three different Li+ site types with respect to H2 adsorption were found in the zeolite, two of which adsorb dihydrogen. Calculations showed a similar interaction energy for these two sites, which was found to agree with the experimentally determined value of standard adsorption enthalpy: .delta.H0 = -4.1 (+/-0.8) kJ/mol."@en . . "Nachtigallov\u00E1, Dana" . "1463-9076" . "FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER"@en . . "Physical Chemistry Chemical Physics" . "FTIR a teoretick\u00E1 studie adsorbce vod\u00EDku na Li-FER zeolitu"@cs . "adsorption; hydrogen storage; spectroscopy"@en . "FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER" . "RIV/61388963:_____/06:00043558!RIV07-AV0-61388963" . "8" . "6"^^ . "The interaction, at a low temperature, between molecular hydrogen and the zeolite Li-FER was studied by means of variable-temperature infrared spectroscopy and theoretical calculations using a periodic DFT model. Three different Li+ site types with respect to H2 adsorption were found in the zeolite, two of which adsorb dihydrogen. Calculations showed a similar interaction energy for these two sites, which was found to agree with the experimentally determined value of standard adsorption enthalpy: .delta.H0 = -4.1 (+/-0.8) kJ/mol." . . . "P(GA203/06/0324), P(LC512), Z(AV0Z40550506)" . . "Nachtigall, Petr" . "FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER" . "7"^^ . . "Are\u00E1n, C. O." . "FTIR a teoretick\u00E1 studie adsorbce vod\u00EDku na Li-FER zeolitu"@cs . . "2286;2292" . . . . . "[F982055AC2A4]" . .