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Theoretical assigment of the electronic ground state of the formyloxyl radical

✍ Scribed by O. Kikuchi

Publisher
Elsevier Science
Year
1977
Tongue
French
Weight
23 KB
Volume
18
Category
Article
ISSN
0040-4039

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πŸ“œ SIMILAR VOLUMES

Theoretical assigment of the electronic
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✍ O. Kikuchi πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 French βš– 198 KB

in Japan 7 Mqy 1977; received in UK ior Publication 27 laity 1977) "C or II ?" is a recent point in dispute for the electronic ground state of acyloxyl radicals which are very important intermediates in thermal and photochemical decomposition of acyl peroxides. Both ESR-experimental 1.2 and MO-'AZ(~

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The ground-state geometrical structure of the heptafulvalene trianion radical, calculated by using the semiempirical open-shell SCF MO method, is found to be of Czv symmetry.

A theoretical study of the MgNC/MgCN iso
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This paper reports the first theoretical treatment of the MgNC $ MgCN isomerization in the X2 S ΓΎ electronic ground state. Based on ab initio data, a global potential energy surface encompassing the MgNC and MgCN minima (which both correspond to linear geometries) has been constructed, and this surf