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DFT and Ab Initio calculations of spectroscopic properties of tetramethyltin and of its cation

โœ Scribed by A. Dhouib; M. Abderrabba; K. Essalah; V. Brites; M. Hochlaf


Book ID
112185549
Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
837 KB
Volume
112
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES


Ab initio study of AgNH3 and its cation
โœ H.-H. Ritze; W. Radloff ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 375 KB

Ab initio calculations are performed for AgNH 3 and Ag+NH3 at the MP2 level of theory. The equilibrium structures show C3v symmetry, the Ag-NH 3 (Ag+-NH3) stabilization energy is 0.20 eV (2.00 eV). The frequencies of the silver-ammonia stretching and bending vibrations are calculated. The theoretica