. . "RIV/61388963:_____/04:00102847" . "Calculations of the site specific stretching frequencies of CO adsorbed on Li+/ZSM-5" . "Calculations of the site specific stretching frequencies of CO adsorbed on Li+/ZSM-5"@en . "556746" . . "-" . "Bludsk\u00FD, Ota" . "ZSM-5;alkali metal;CO stretching frequency"@en . "Nachtigall, Petr" . "Calculations of the site specific stretching frequencies of CO adsorbed on Li+/ZSM-5" . "8"^^ . . "[408B4B4557DE]" . . . "P(LN00A032), Z(AV0Z4055905)" . "V\u00FDpo\u010Dty CO vibra\u010Dn\u00EDch frekvenc\u00ED pro CO adsorbovan\u00E9 na r\u016Fzn\u00FDch typech pozic iont\u016F Li+ v ZSM-5"@cs . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . . "3"^^ . "Interaction of the CO molecule with Li+ sites within ZSM-5 was investigated by means of combined quantum mechanics/interaction potential function method. The scaling method based on the linear correlation betwen CO bond length and the CO stretching frequency has been applied to calculate CO strtching frequencies in CO(OC)-Li+/ZSM-5 adsorption complexes. Calculated adsorption energies and CO stretching frequencies were used for simulation of IR spectra at various CO coverages"@en . "Physical Chemistry Chemical Physics" . . . "1463-9076" . . . "6" . . . "Interaction of the CO molecule with Li+ sites within ZSM-5 was investigated by means of combined quantum mechanics/interaction potential function method. The scaling method based on the linear correlation betwen CO bond length and the CO stretching frequency has been applied to calculate CO strtching frequencies in CO(OC)-Li+/ZSM-5 adsorption complexes. Calculated adsorption energies and CO stretching frequencies were used for simulation of IR spectra at various CO coverages" . "Nachtigallov\u00E1, Dana" . "3"^^ . . . "RIV/61388963:_____/04:00102847!RIV/2005/MSM/A57005/N" . . . . . "V\u00FDpo\u010Dty CO vibra\u010Dn\u00EDch frekvenc\u00ED pro CO adsorbovan\u00E9 na r\u016Fzn\u00FDch typech pozic iont\u016F Li+ v ZSM-5"@cs . "Interakce molekuly CO s inoty Li+ v ZSM-5 byla studov\u00E1na pomoc\u00ED kombinovan\u00E9 kvantov\u011B mechanick\u00E9/molekulov\u011B mechanick\u00E9 metody. Byla pou\u017Eita \u0161k\u00E1lovac\u00ED metoda zalo\u017Een\u00E1 na line\u00E1rn\u00ED korelaci mezi vazebnou d\u00E9lkou CO a CO vibra\u010Dn\u00ED frekvenc\u00ED. Vibra\u010Dn\u00ED frekvence byly po\u010D\u00EDt\u00E1ny pro r\u016Fzn\u00E9 pozice Li+ v ZSM-5 pro CO v\u00E1zan\u00E9 uhl\u00EDkem i pro CO v\u00E1zan\u00E9 p\u0159es kysl\u00EDkov\u00FD atom. Na z\u00E1klad\u011B vypo\u010Dten\u00FDch interak\u010Dn\u00EDch energi\u00ED a vibra\u010Dn\u00EDch frekvenc\u00ED byla simulov\u00E1na IR spektra pro r\u016Fzn\u00E1 pokryt\u00ED CO"@cs . "Calculations of the site specific stretching frequencies of CO adsorbed on Li+/ZSM-5"@en . "5580;5587" .