"9"^^ . . . "534331" . . . "Rozd\u00EDly mezi vod\u00EDkovou vazbou a nepravou vod\u00EDkovou vazbou"@cs . "609;617" . "ChemPhysCHem" . "Rozd\u00EDly mezi vod\u00EDkovou vazbou a nepravou vod\u00EDkovou vazbou"@cs . . "1439-4235" . . . . . "2"^^ . "3"^^ . "Hobza, Pavel" . "RIV/61388963:_____/05:00020883!RIV06-MSM-61388963" . "Zierkiewicz, W." . "On differences between hydrogen bonding and improper blue-shifting hydrogen bonding" . "Byly zkoum\u00E1ny dvacet dva komplexy s vod\u00EDkovou vazbou a nepravou vod\u00EDkovou vazbou prost\u0159ednictv\u00EDm metod HF, MP2, a B3LYP za pou\u017Eit\u00ED 6-31G(d,p) a 6-311++G(d,p) baz\u00ED AO. Na rozd\u00EDl od standardn\u00ED vod\u00EDkov\u00E9 vazby nen\u00ED p\u016Fvod neprav\u00E9 vod\u00EDkov\u00E9 vazby st\u00E1le je\u0161t\u011B pln\u011B vysv\u011Btlen. V rozporu s \u010Dasto p\u0159edpokl\u00E1danou my\u0161lenkou nem\u016F\u017Ee rozd\u00EDln\u00E9 chov\u00E1n\u00ED komplex\u016F s vod\u00EDkovou vazbou a nepravou vod\u00EDkovou vazbou vysv\u011Btlovat pouze elektrick\u00E9 pole protonov\u00E9ho akceptoru. Zkr\u00E1cen\u00ED vod\u00EDkov\u00E9 vazby p\u016Fsoben\u00EDm r\u016Fzn\u00FDch p\u0159ita\u017Eliv\u00FDch sil - disperzn\u00ED nebo elektrostatick\u00E9 rovn\u011B\u017E p\u0159isp\u00EDv\u00E1 v\u00FDznamn\u00FDm zp\u016Fsobem."@cs . "[EA673853C3A9]" . "DE - Spolkov\u00E1 republika N\u011Bmecko" . . . . "On differences between hydrogen bonding and improper blue-shifting hydrogen bonding"@en . . "ab initio calculations; density functional calculations; H-bonding"@en . . "Jure\u010Dka, Petr" . "Twenty two hydrogen-bonded and improper blue-shifting hydrogen-bonded complexes were studied by means of the HF, MP2 and B3LYP methods using the 6-31G(d,p) and 6-311++G(d,p) basis sets. In contrast to the standard H bonding, the origin of the improper blue-shifting H bonding is still not fully understood. Contrary to a frequently presented idea, the electric field of the proton acceptor cannot solely explain the different behavior of the H-bonded and improper blue-shifting H-bonded complexes. Compression of the hydrogen bond due to different attractive forces-dispersion or electrostatics-makes an important contribution as well." . "On differences between hydrogen bonding and improper blue-shifting hydrogen bonding"@en . "4" . . "P(GA203/05/0009), P(LC512), Z(AV0Z40550506)" . "RIV/61388963:_____/05:00020883" . . "6" . . "Twenty two hydrogen-bonded and improper blue-shifting hydrogen-bonded complexes were studied by means of the HF, MP2 and B3LYP methods using the 6-31G(d,p) and 6-311++G(d,p) basis sets. In contrast to the standard H bonding, the origin of the improper blue-shifting H bonding is still not fully understood. Contrary to a frequently presented idea, the electric field of the proton acceptor cannot solely explain the different behavior of the H-bonded and improper blue-shifting H-bonded complexes. Compression of the hydrogen bond due to different attractive forces-dispersion or electrostatics-makes an important contribution as well."@en . "On differences between hydrogen bonding and improper blue-shifting hydrogen bonding" . . .