"2"^^ . . "Physical Chemistry Chemical Physics" . "2"^^ . . "-" . . . "\u010Cern\u00FD, Ji\u0159\u00ED" . . "The X3LYP extended density functional accuratelydescribes H-bonding but fails completely for stacking" . "Hobza, Pavel" . "7" . "V\u00FDkonnost X3LYP funkcion\u00E1lu byla testov\u00E1na na vod\u00EDkov\u011B v\u00E1zan\u00FDch a %22stackov\u00FDch%22 p\u00E1rech baz\u00ED nukleov\u00FDch kyselin. Ze srovn\u00E1n\u00ED v\u00FDsledk\u016F s p\u0159esn\u00FDmi iterak\u010Dn\u00EDmi energiemi vypl\u00FDv\u00E1, \u017Ee X3LYP systematicky selh\u00E1v\u00E1 p\u0159i popisu %22stackov\u00E9%22 interakce."@cs . "The X3LYP extended density functional accuratelydescribes H-bonding but fails completely for stacking"@en . . "1624;1626" . . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . . . "[4728AE0B126E]" . "3"^^ . "RIV/61388963:_____/05:00021241!RIV06-MSM-61388963" . . "X3LYP funkcion\u00E1l poskytuje p\u0159esn\u00FD popis vod\u00EDkov\u00E9 vazby, ale selh\u00E1v\u00E1 p\u0159i popisu %22stackov\u00E9%22 interakce"@cs . "551603" . . . "The X3LYP extended density functional accuratelydescribes H-bonding but fails completely for stacking" . . . . "The X3LYP extended density functional accuratelydescribes H-bonding but fails completely for stacking"@en . . "1463-9076" . "DFT; stacking; international energy"@en . "X3LYP funkcion\u00E1l poskytuje p\u0159esn\u00FD popis vod\u00EDkov\u00E9 vazby, ale selh\u00E1v\u00E1 p\u0159i popisu %22stackov\u00E9%22 interakce"@cs . . "Performance of recently developed X3LYP density functional was tested on H-bonded and stacked pairs of nucleic acid bases. Obtained results were compared to accurate interaction energies and it was clearly shown that it fails completely for desciption of stacking interaction."@en . "P(GA203/05/0009), P(LC512), Z(AV0Z40550506)" . . . "Performance of recently developed X3LYP density functional was tested on H-bonded and stacked pairs of nucleic acid bases. Obtained results were compared to accurate interaction energies and it was clearly shown that it fails completely for desciption of stacking interaction." . "RIV/61388963:_____/05:00021241" .