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Comparative study of the structure and properties of ClF2 and Cl3 radicals by CNDO/2 and INDO methods

✍ Scribed by B. R. De; A. B. Sannigrahi

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
184 KB
Volume
19
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

A comparative study of the structure and
A comparative study of the structure and bonding of HOO, HOS, HSO, and HSS radicals by CNDO/2 and INDO methods
✍ B. R. De; A. B. Sannigrahi πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 509 KB

## Abstract Equilibrium geometries, force constants, barriers to linearity, charge distributions, dipole moments, and electron spin density of HOO, HOS, HSO, and HSS radicals are calculated by CNDO/2 and INDO methods using respectively the original and some recently introduced scheme of parametriza

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✍ Y.I. Gorlov; V.V. Penkovsky πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 362 KB

The equilibrium geometries and spin density distributions for some phosphoranyl radicals and the radical anion PH30were calculated by the UHF CNDO/2 method. Barriers to permuhtional isomerization in PFQ and PHsOH were estirxted.