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Determination of physically justified STO basis sets for molecular dipole moment and polarizability calculations

✍ Scribed by A.B. Bolotin; V.V. Kuzmenko; V.V. Rossikhin; E.O. Voronkov


Book ID
114141917
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
516 KB
Volume
311
Category
Article
ISSN
0166-1280

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The electronic structure of 2βˆ‘+ boron mo
✍ John R. Ball; Colin Thomson πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 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