๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Electronic structure of SiH2, PH2, and their positive and negative ions

โœ Scribed by John R. Ball; Colin Thomson


Publisher
John Wiley and Sons
Year
1978
Tongue
English
Weight
744 KB
Volume
14
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

โœฆ Synopsis


Abstract

Ab initio LCAOโ€MOโ€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.


๐Ÿ“œ SIMILAR VOLUMES


Electronic structure of FO and its negat
โœ Peter Haaland ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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 UH, UF, and thei
โœ M. Krauss; W. J. Stevens ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 775 KB

A relativistic effective core potential (REP) has been generated for the uranium atom and used in selfconsistent-field calculations of the A states of UH, UF, and their ions. Energy curves were calculated at the base configuration level which ensures the dissociating atoms are described by Hartree-F