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  • 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)
Title
  • Ab initio electronic structure of thymine anions
  • Ab initio electronic structure of thymine anions (en)
  • Struktura aniontů thyminu z prvních principů (cs)
skos:prefLabel
  • Ab initio electronic structure of thymine anions
  • Ab initio electronic structure of thymine anions (en)
  • Struktura aniontů thyminu z prvních principů (cs)
skos:notation
  • RIV/61388963:_____/05:00020937!RIV06-MSM-61388963
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  • 840;845
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  • P(LN00A032), Z(AV0Z4055905)
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  • RIV/61388963:_____/05:00020937
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  • dipole-bound anion; valence-bound anion; thymine (en)
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  • GB - Spojené království Velké Británie a Severního Irska
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  • [F3C2B36421E5]
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  • 7
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  • Jungwirth, Pavel
  • Svozil, Daniel
  • Havlas, Zdeněk
  • Frigato, T.
http://linked.open...n/vavai/riv/zamer
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  • 1463-9076
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