Theoretical ab initio calculations of the electron affinity of thymine

Nathan A. Oyler, Ludwik Adamowicz

Research output: Contribution to journalArticle

97 Citations (Scopus)

Abstract

It was determined in ab initio calculations that an electron can attach to thymine, forming a stable anion. The electron is attached predominantly to the positive end of the molecular dipole moment; however, some contribution from the covalent character is also present. The adiabatic electron affinity for this process is estimated to be only 0.088 eV.

Original languageEnglish (US)
Pages (from-to)223-227
Number of pages5
JournalChemical Physics Letters
Volume219
Issue number3-4
DOIs
StatePublished - Mar 4 1994

Fingerprint

Electron affinity
Thymine
thymine
electron affinity
Electrons
Dipole moment
Anions
dipole moments
electrons
anions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

Theoretical ab initio calculations of the electron affinity of thymine. / Oyler, Nathan A.; Adamowicz, Ludwik.

In: Chemical Physics Letters, Vol. 219, No. 3-4, 04.03.1994, p. 223-227.

Research output: Contribution to journalArticle

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