. "Nature of the Cu+ -NO bond in the gas phase and at different types of Cu+ sites in zeolite catalysts"@en . "Nachtigall, Petr" . "2"^^ . "Povaha vazby mezi NO a Cu+ v plynn\u00E9 f\u00E1zi a v rozli\u010Dn\u00FDch Cu+ pozic\u00EDch v zeolitech"@cs . "3"^^ . "-" . . "1520-6106" . . "9"^^ . . . . . "Nature of the Cu+ -NO bond in the gas phase and at different types of Cu+ sites in zeolite catalysts" . "575488" . "Nachtigallov\u00E1, Dana" . "Davidov\u00E1, M." . "RIV/61388963:_____/04:00100890" . "HFCC calculations;zeolite;NO"@en . . "P(LN00A032), Z(AV0Z4055905)" . "Byla analyzov\u00E1na aktivace iont\u016F Cu+ pro vazbu NO v d\u016Fsledku interakce mezi Cu+ a zeolitem. Na z\u00E1kald\u011B DFT v\u00FDpo\u010Dt\u016F bylo uk\u00E1z\u00E1no, \u017Ee povaha vazby mezi Cu+ a NO je jin\u00E1 pro plynnou \u010D\u00E1stici a pro iont v mimom\u0159\u00ED\u017Ekov\u00E9 pozici v zeolitech. Byly vypo\u010Dteny EPR konstanty hyperjemn\u00E9ho \u0161t\u011Bpen\u00ED a srovn\u00E1ny s experiment\u00E1ln\u00EDmi daty. Isotropick\u00E1 komponenta siln\u011B z\u00E1vis\u00ED na CuNO \u00FAhlu. Vzhledem k tomu je velice obt\u00ED\u017En\u00E9 rozli\u0161it EPR spektra a p\u0159i\u0159adit je jednostliv\u00FDm typ\u016Fm pozic m\u011Bdi"@cs . . . . . . "Nature of the Cu+ -NO bond in the gas phase and at different types of Cu+ sites in zeolite catalysts"@en . . "The activation of Cu+ ions for NO binding by the zeolite %22ligand%22 is analyzed. Density functional theory (DFT) calculations show that the interaction of NO with isolated Cu+ ions and with Cu+ions in zeolites is of different character. EPR hyperfine coupling constants (HFCC) were calculated and compared with experiment. The isotropic component of HFCC strongly depends on CuNO angle, but due to small variations of this angle, it will be difficult to resolve EPR signals (or other spectroscopic signals) for different sites" . "[04CC78927D82]" . "Nature of the Cu+ -NO bond in the gas phase and at different types of Cu+ sites in zeolite catalysts" . . . "RIV/61388963:_____/04:00100890!RIV/2005/MSM/A57005/N" . "108" . "Journal of Physical Chemistry B" . "13674;13682" . "The activation of Cu+ ions for NO binding by the zeolite %22ligand%22 is analyzed. Density functional theory (DFT) calculations show that the interaction of NO with isolated Cu+ ions and with Cu+ions in zeolites is of different character. EPR hyperfine coupling constants (HFCC) were calculated and compared with experiment. The isotropic component of HFCC strongly depends on CuNO angle, but due to small variations of this angle, it will be difficult to resolve EPR signals (or other spectroscopic signals) for different sites"@en . . "Povaha vazby mezi NO a Cu+ v plynn\u00E9 f\u00E1zi a v rozli\u010Dn\u00FDch Cu+ pozic\u00EDch v zeolitech"@cs . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . .