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rdf:type
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Description
| - The keto–enol tautomerization of 7-methyl-guanine and 9-methyl-guanine in the excited states (due to p - p* and n - p* transitions) was investigated using the time-dependent DFT (TDDFT) method. The state of the n - p* transition exhibits two minima whith the second being intermediate between enol and keto tautomers. This structure, is observed in both species, which suggests that it cannot account alone for their different photophysical behavior.
- The keto–enol tautomerization of 7-methyl-guanine and 9-methyl-guanine in the excited states (due to p - p* and n - p* transitions) was investigated using the time-dependent DFT (TDDFT) method. The state of the n - p* transition exhibits two minima whith the second being intermediate between enol and keto tautomers. This structure, is observed in both species, which suggests that it cannot account alone for their different photophysical behavior. (en)
- Keto enol tautomerizace 7-methyl-guaninu and 9-methyl-guaninu v excitovaných stavech (p - p* a n - p*) byla studována časově závislou DFT metodou (TDDFT). Byla nalezena dvě minima pro stav n - p*, přičemž druhé minimum je pravděpodobně meziproduktem mezi keto a enol formou. Tato struktura byla pozorována pro oba konforméry, takže nemůže vysvětlovat jejich rozdílné fotofyzikální chování. (cs)
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Title
| - Theoretical study of the ground and excited states of 7-methyl guanine and 9-methyl guanine: comparison with experiment
- Teoretická studie základního excitovaného stavu 7-methyl guaninu and 9-methyl guaninu: srovnání s experimentem (cs)
- Theoretical study of the ground and excited states of 7-methyl guanine and 9-methyl guanine: comparison with experiment (en)
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skos:prefLabel
| - Theoretical study of the ground and excited states of 7-methyl guanine and 9-methyl guanine: comparison with experiment
- Teoretická studie základního excitovaného stavu 7-methyl guaninu and 9-methyl guaninu: srovnání s experimentem (cs)
- Theoretical study of the ground and excited states of 7-methyl guanine and 9-methyl guanine: comparison with experiment (en)
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skos:notation
| - RIV/61388963:_____/06:00040683!RIV07-AV0-61388963
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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), P(LC512), Z(AV0Z4055905)
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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:_____/06:00040683
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - TDDFT; excitated states; guanine tautomers (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - GB - Spojené království Velké Británie a Severního Irska
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Physical Chemistry Chemical Physics
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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
- Černý, Jiří
- Špirko, Vladimír
- Mons, M.
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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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