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Electronic structure of negative monothiocarbonate ions

✍ Scribed by A. V. Pogulyai; V. I. Khvostenko; S. M. Kalashnikov; R. F. Mavlyutov; U. B. Imashev


Book ID
112449212
Publisher
Springer
Year
1987
Tongue
English
Weight
308 KB
Volume
36
Category
Article
ISSN
1573-9171

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πŸ“œ SIMILAR VOLUMES


Electronic structure of FO and its negat
✍ Peter Haaland πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 396 KB

Electronic structure calculations of FO and its anion have been performed at rhe QClSD(T) level of ab initio theory using 6-3 l+ G\* and extended Gaussian basis sets. The adiabatic electron affinity of FO is calculated to be 2.08 i 0.2 eV. The 'I+ anion, which is bound by 3 eV. dissociates to Ft O-r

Electronic structure of SiH2, PH2, and t
✍ John R. Ball; Colin Thomson πŸ“‚ Article πŸ“… 1978 πŸ› John Wiley and Sons 🌐 English βš– 744 KB

## Abstract __Ab initio__ LCAO‐MO‐SCF calculations on SiH~2~ and PH~2~ and their positive and negative ions are reported, using a variety of Gaussian basis sets. The charge distribution, bonding, and molecular properties of these ions are compared with the available experimental data.