. . . "RIV/61388963:_____/05:00020892" . . . "tautomers; 5-bromouracil; mutagenic activity"@en . . "5" . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "P(GA203/05/0009), Z(AV0Z40550506)" . "Mutagenic properties of 5-halogenuracils: Correlated quantum chemical ab initio study" . . . . "Hobza, Pavel" . . "Relativn\u00ED stabilita tautomer\u016F 5-bromouracilu byla studov\u00E1na teoreticky v r\u016Fzn\u00FDch prost\u0159ed\u00EDch - ve vakuu, v p\u0159\u00EDtomnosti jedn\u00E9 molekuly vody a ve vodn\u00E9m roztoku. Vypo\u010Dten\u00E9 hodnoty relativn\u00EDch energi\u00ED a voln\u00FDch energi\u00ED ve v\u0161ech prost\u0159ed\u00EDch jednozna\u010Dn\u011B up\u0159ednost\u0148uj\u00ED v\u00FDskyt kanonick\u00E9 keto formy, co\u017E n\u00E1s oprav\u0148uje k odm\u00EDtnut\u00ED d\u0159\u00EDve navr\u017Een\u00E9ho tautomerick\u00E9ho modelu mutagenicity t\u00E9to slou\u010Deniny."@cs . "531703" . "Mutagenic properties of 5-halogenuracils: Correlated quantum chemical ab initio study" . "Mutagenicita 5-halogensubstituovan\u00FDch uracil\u016F: Kvantov\u011B-chemick\u00E1 ab-initio korelovan\u00E1 studie"@cs . "The relative stability of all possible 5-bromouracil tautomers was studied theoretically in a gas phase, in a microhydrated environment (with one water molecule), and in bulk water. Tautomer structures were determined by gradient optimization at the correlated ab initio quantum chemical level with an extended basis set of atomic orbitals."@en . "7"^^ . . "[B22EA21133AA]" . . . "Mutagenic properties of 5-halogenuracils: Correlated quantum chemical ab initio study"@en . "Kabel\u00E1\u010D, Martin" . . "0006-2960" . . "Nachtigallov\u00E1, Dana" . "Hanus, Michal" . . "RIV/61388963:_____/05:00020892!RIV06-GA0-61388963" . "4"^^ . "44" . . "4"^^ . "Mutagenicita 5-halogensubstituovan\u00FDch uracil\u016F: Kvantov\u011B-chemick\u00E1 ab-initio korelovan\u00E1 studie"@cs . . "Biochemistry" . "The relative stability of all possible 5-bromouracil tautomers was studied theoretically in a gas phase, in a microhydrated environment (with one water molecule), and in bulk water. Tautomer structures were determined by gradient optimization at the correlated ab initio quantum chemical level with an extended basis set of atomic orbitals." . . "1701;1707" . "Mutagenic properties of 5-halogenuracils: Correlated quantum chemical ab initio study"@en .