THEORETICAL AB-INITIO CALCULATIONS OF THE ELECTRON-AFFINITY OF THYMINE

被引：93

作者：

OYLER, NA

ADAMOWICZ, L

机构：

[1] Department of Chemistry, University of Arizona, Tucson

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 219卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(94)87049-7

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：223 / 227

页数：5

共 12 条

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[2]

[Anonymous], 1963, QUANTUM BIOCH

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