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Description
| - Relativní stabilita tautomerů 5-bromouracilu byla studována teoreticky v různých prostředích - ve vakuu, v přítomnosti jedné molekuly vody a ve vodném roztoku. Vypočtené hodnoty relativních energií a volných energií ve všech prostředích jednoznačně upřednostňují výskyt kanonické keto formy, což nás opravňuje k odmítnutí dříve navrženého tautomerického modelu mutagenicity této sloučeniny. (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.
- 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)
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Title
| - Mutagenic properties of 5-halogenuracils: Correlated quantum chemical ab initio study
- Mutagenic properties of 5-halogenuracils: Correlated quantum chemical ab initio study (en)
- Mutagenicita 5-halogensubstituovaných uracilů: Kvantově-chemická ab-initio korelovaná studie (cs)
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skos:prefLabel
| - Mutagenic properties of 5-halogenuracils: Correlated quantum chemical ab initio study
- Mutagenic properties of 5-halogenuracils: Correlated quantum chemical ab initio study (en)
- Mutagenicita 5-halogensubstituovaných uracilů: Kvantově-chemická ab-initio korelovaná studie (cs)
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skos:notation
| - RIV/61388963:_____/05:00020892!RIV06-GA0-61388963
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GA203/05/0009), Z(AV0Z40550506)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388963:_____/05:00020892
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - tautomers; 5-bromouracil; mutagenic activity (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Hobza, Pavel
- Nachtigallová, Dana
- Kabeláč, Martin
- Hanus, Michal
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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