Methylation Reduces Electron Affinity of Uracil. Ab Initio Theoretical Study
β Scribed by Smith, Dayle M. A.; Smets, Johan; Elkadi, Yasser; Adamowicz, Ludwik
- Book ID
- 127257084
- Publisher
- American Chemical Society
- Year
- 1997
- Tongue
- English
- Weight
- 103 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
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 affini
A stable methyl anion, i.e. a positive adiabatic electron atlinity for the methyl radical, has been calculated directly by ab initio methods for the first time. The basii set was uncontmeted in the valence region and augmented by four d and two f timctions on carbon and three p and one d sets on hyd