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INDO Studies on the electronic structure of lanthanoid compounds

✍ Scribed by Li Le-min; Ren Jing-Qing; Xu Guang-Xian (K. H. Hsu); Wang Xiu-Zhen

Publisher
John Wiley and Sons
Year
1983
Tongue
English
Weight
582 KB
Volume
23
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Expressions needed in INDO calculations for compounds containing 4__f__ elements were derived and an INDO program suitable for lanthanoid compounds was written and tested. Electronic structure of LnF~3~ and paramagnetic shift of NMR spectra of LnF were studied.

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✍ Yoshiya Shinagawa; Yasuko Shinagawa; Nobuhiro Uyesaka; Kohji Fukuda πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 340 KB

## Abstract The spin densities of the radical anions from 4‐methylcatechol, 4‐carboxylic catechol, and 3‐methylcatechol were calculated by means of the INDO method with the geometrical parameter adjusting method. The observed protion hyperfine coupling constants were exactly reproduced.