## Abstract __Ab initio__ CI calculations using pseudopotentials to describe germanium inner electrons are carried out on the lowβlying excited singlet states (__T__~2~) of GeH~4~. A theoretical analysis of these states in terms of Mulliken population of Rydberg orbitals for each state and oscillat
Theoretical ab initio calculations of the electron affinity of thymine
β Scribed by Nathan A. Oyler; Ludwik Adamowicz
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 452 KB
- Volume
- 219
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
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.
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