Theoretical study of simple electron transfer reactions involving oxo radicals and anions

Andrzej Les; Ludwik Adamowicz

doi:10.1016/0009-2614(90)85540-S

Theoretical study of simple electron transfer reactions involving oxo radicals and anions

Andrzej Les, Ludwik Adamowicz

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Abstract

The heat of electron transfer reactions involving oxo radicals and anions is calculated using the first-order correlation orbitals and the coupled cluster method. Despite systematic errors which remain in the theoretical electron affinities versus the experimental affinities, the agreement in the electron transfer energy is much more plausible.

Original language	English (US)
Pages (from-to)	187-191
Number of pages	5
Journal	Chemical Physics Letters
Volume	175
Issue number	3
DOIs	https://doi.org/10.1016/0009-2614(90)85540-S
State	Published - Dec 4 1990

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Theoretical study of simple electron transfer reactions involving oxo radicals and anions",

abstract = "The heat of electron transfer reactions involving oxo radicals and anions is calculated using the first-order correlation orbitals and the coupled cluster method. Despite systematic errors which remain in the theoretical electron affinities versus the experimental affinities, the agreement in the electron transfer energy is much more plausible.",

author = "Andrzej Les and Ludwik Adamowicz",

year = "1990",

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doi = "10.1016/0009-2614(90)85540-S",

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T1 - Theoretical study of simple electron transfer reactions involving oxo radicals and anions

AU - Les, Andrzej

AU - Adamowicz, Ludwik

PY - 1990/12/4

Y1 - 1990/12/4

N2 - The heat of electron transfer reactions involving oxo radicals and anions is calculated using the first-order correlation orbitals and the coupled cluster method. Despite systematic errors which remain in the theoretical electron affinities versus the experimental affinities, the agreement in the electron transfer energy is much more plausible.

AB - The heat of electron transfer reactions involving oxo radicals and anions is calculated using the first-order correlation orbitals and the coupled cluster method. Despite systematic errors which remain in the theoretical electron affinities versus the experimental affinities, the agreement in the electron transfer energy is much more plausible.

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JF - Chemical Physics Letters

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Theoretical study of simple electron transfer reactions involving oxo radicals and anions

Abstract

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