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A Calculation of the Wavefunction and Isotropic Hyperfine Structure Constants of the U2-centre in NaCl and KCl

โœ Scribed by B. Sammel


Publisher
John Wiley and Sons
Year
1969
Tongue
English
Weight
554 KB
Volume
34
Category
Article
ISSN
0370-1972

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๐Ÿ“œ SIMILAR VOLUMES


The electronic structure of 2โˆ‘+ boron mo
โœ John R. Ball; Colin Thomson ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 675 KB

The electronic structure cf 'X3+ BS has been investigated by ab-initio SCF crilculations using both GTO and ST0 basis sets. The computed bond length and hyperfine coupling constants are compared uVith experimental data. ## I. Jntroduction Boron monosulphide (BS) is one of the few diatomic radical