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Ab initio electronic structure of thymine anions

D. Svozil, T. Frigato, Z. Havlas, P. Jungwirth

. 2005 ; 7 (5) : 840-845.

Jazyk angličtina Země Velká Británie

Typ dokumentu práce podpořená grantem

Perzistentní odkaz   https://www.medvik.cz/link/bmc11022335

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 51 meV. The valence-bound anion is also adiabatically stable, albeit only marginally. Its vertical stability of 501 meV is, however, higher than that of the dipole-bound anion. All these values agree well with experimental findings.

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