Theoretical ab initio calculations of the electron affinity of thymine

Nathan A. Oyler; Ludwik Adamowicz

doi:10.1016/0009-2614(94)87049-7

Theoretical ab initio calculations of the electron affinity of thymine

Nathan A. Oyler, Ludwik Adamowicz

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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 language	English (US)
Pages (from-to)	223-227
Number of pages	5
Journal	Chemical Physics Letters
Volume	219
Issue number	3-4
DOIs	https://doi.org/10.1016/0009-2614(94)87049-7
State	Published - Mar 4 1994

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Theoretical ab initio calculations of the electron affinity of thymine",

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.",

author = "Oyler, \{Nathan A.\} and Ludwik Adamowicz",

note = "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).",

year = "1994",

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doi = "10.1016/0009-2614(94)87049-7",

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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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DO - 10.1016/0009-2614(94)87049-7

M3 - Article

AN - SCOPUS:0000274821

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VL - 219

SP - 223

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3-4

ER -

Theoretical ab initio calculations of the electron affinity of thymine

Abstract

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