"Poruchov\u00E9 energie prvn\u00EDho a druh\u00E9ho \u0159\u00E1du pro vod\u00EDkov\u011B v\u00E1zan\u00E9 a patrov\u00E9 struktury p\u00E1r\u016F baz\u00ED nukleov\u00FDch kyselin v krystalov\u00FDch geometri\u00EDch vzat\u00FDch z DNA byly z\u00EDsk\u00E1ny pomoc\u00ED metody DFT-SAPT. V\u011Bt\u0161\u00ED \u010D\u00E1st stabiliza\u010Dn\u00ED energie poch\u00E1z\u00ED z elektrostatick\u00E9 a induk\u010Dn\u00ED interakce. Celkov\u00E1 E(1) energie pro oba p\u00E1ry je v\u0161ak podobn\u00E1, co\u017E plat\u00ED i pro disperzn\u00ED energii."@cs . "3"^^ . "First- and second-order perturbation energies for H-bonded and stacked structures of nucleic acid base pairs in DNA crystal geometries were determined using the density functional theory symmetry adapted perturbation treatment method. Considerably larger stabilization of the former pairs is due to electrostatic and induction energies. Total E(1) energies for both pairs are, however, similar and the same is true for dispersion energy."@en . "[AC08EC97BA7F]" . "Jure\u010Dka, Petr" . "127" . "Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry"@en . "3"^^ . . . . "0021-9606" . . "DFT-SAPT energetick\u00E1 dekompozice pro b\u00E1ze nukleov\u00FDch kyselin z krystalov\u00FDch geometri\u00ED vzat\u00FDch z DNA"@cs . . . "RIV/61388963:_____/07:00090956!RIV08-AV0-61388963" . . "Hobza, Pavel" . "075104;1" . . . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . . "416206" . "Journal of Chemical Physics" . "7" . . . . "Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry" . "Sedl\u00E1k, Robert" . . "RIV/61388963:_____/07:00090956" . . "nucleic acid base pairs; interaction energy decomposition; dispersion interactions"@en . "DFT-SAPT energetick\u00E1 dekompozice pro b\u00E1ze nukleov\u00FDch kyselin z krystalov\u00FDch geometri\u00ED vzat\u00FDch z DNA"@cs . . "Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry" . "First- and second-order perturbation energies for H-bonded and stacked structures of nucleic acid base pairs in DNA crystal geometries were determined using the density functional theory symmetry adapted perturbation treatment method. Considerably larger stabilization of the former pairs is due to electrostatic and induction energies. Total E(1) energies for both pairs are, however, similar and the same is true for dispersion energy." . "Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry"@en . . . . "P(GA203/05/0009), P(LC512), Z(AV0Z40550506), Z(MSM6198959216)" . . "3"^^ .