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Description
| - Dipole-bound and valence-bound anions of thymine were characterised by means of state-of-the-art ab initio calculations. The dipole-bound anion of thymine is both vertically and adiabatically stable with adiabatic electron affinity of 5l meV. The valence-bound anion is also adiabatically stable, albeit only marginally. Its vertical stability of 50l me V is, however, higher than that of the dipole-bound anion. All these values agree well with experimental findings.
- Dipole-bound and valence-bound anions of thymine were characterised by means of state-of-the-art ab initio calculations. The dipole-bound anion of thymine is both vertically and adiabatically stable with adiabatic electron affinity of 5l meV. The valence-bound anion is also adiabatically stable, albeit only marginally. Its vertical stability of 50l me V is, however, higher than that of the dipole-bound anion. All these values agree well with experimental findings. (en)
- Dipólově vázaný a valenční anion thyminu byly charakterizovány pomocí přesných kvantově chemických výpočtů. Dipólově vázaný anion thyminu je jak vertikálně tak adiabaticky stabilní s adiabatickou elektronovou afinitou 51 meV. Valenčně vázaný anion je adiabaticky jen slabě vázaný. Jeho vertikální stabilita 50l meV je však vyšší než u dipólově vázaného aniontu. Všechny tyto hodnoty dobře souhlasí s experimentem. (cs)
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Title
| - Ab initio electronic structure of thymine anions
- Ab initio electronic structure of thymine anions (en)
- Struktura aniontů thyminu z prvních principů (cs)
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skos:prefLabel
| - Ab initio electronic structure of thymine anions
- Ab initio electronic structure of thymine anions (en)
- Struktura aniontů thyminu z prvních principů (cs)
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skos:notation
| - RIV/61388963:_____/05:00020937!RIV06-MSM-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(LN00A032), 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:_____/05:00020937
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - dipole-bound anion; valence-bound anion; thymine (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
| - Jungwirth, Pavel
- Svozil, Daniel
- Havlas, Zdeněk
- Frigato, T.
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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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