๐”– Bobbio Scriptorium
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Self-consistent spin-orbital interaction in molecules with empty orbitals

โœ Scribed by E. D. German; A. A. Levin; M. E. Dyatkina

Publisher
SP MAIK Nauka/Interperiodica
Year
1966
Tongue
English
Weight
223 KB
Volume
6
Category
Article
ISSN
0022-4766

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๐Ÿ“œ SIMILAR VOLUMES

Spin-orbit interaction in polyatomic mol
Spin-orbit interaction in polyatomic molecules: Ab initio computations with Gaussian orbitals
โœ G. L. Bendazzoli; P. Palmieri ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 498 KB

## Abstract Standard sets of Gaussian atomic orbitals (STOโ€3G, STOโ€4.31G) are used to evaluate spinโ€orbit coupling constants in linear molecules (CO, NNN) and spinโ€orbit effects on singletโ€“triplet transition intensities in formaldehyde. All spinโ€other orbit effects have been included. In all cases

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โœ G.L. Bendazzoli; P. Palmieri; M.L. Sink ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 574 KB

A comptrter program has been developed to evaluate spin-spin mntrk clc~ncnts and zero-field spIitting constants of poiyatomic molecules. The computational proccdurc, based on the spin-spin density function fornxlism developed by XlcWceny and hlizunc~ and on the IISL! of gaussim atomic orbit:lls is d