TY - JOUR
T1 - Theoretical ab initio calculations of the electron affinity of thymine
AU - Oyler, Nathan A.
AU - Adamowicz, Ludwik
N1 - Funding Information:
This work has been supported by a grant from the Of&e of Health and Environmental Research, Department of Energy (No. DEFG 0393ER61605).
PY - 1994/3/4
Y1 - 1994/3/4
N2 - 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.
AB - 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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U2 - 10.1016/0009-2614(94)87049-7
DO - 10.1016/0009-2614(94)87049-7
M3 - Article
AN - SCOPUS:0000274821
VL - 219
SP - 223
EP - 227
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 3-4
ER -