Hyperfine splitting in hydroxyl group protons

Autor: N. V. Arshava, A. E. Lutskii, I. S. Romodanov
Rok vydání: 1975
Předmět:
Zdroj: Theoretical and Experimental Chemistry. 9:50-53
ISSN: 1573-935X
0040-5760
Popis: The r e su l t s of the calculation of the ~ -e l ec t ron s t ruc tu re by the LCAO MO method a re known for many of the f r ee r ad ica l s that we a re considering, but all of them were obtained for apprec iab ly different values of the computat ional p a r a m e t e r s . In the p resen t paper , the spin densi ty was calcula ted f rom the Hiickel p r o g r a m [8] for the following Coulomb and resonance in tegra ls .
Databáze: OpenAIRE