Ab initio study of the electronic structure of compounds with a double bonded silicon atom: Si2H4
β Scribed by F.F. Roelandt; D.F. van de Vondel; G.P. van der Kelen
- Book ID
- 108354424
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 359 KB
- Volume
- 165
- Category
- Article
- ISSN
- 0022-328X
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π SIMILAR VOLUMES
Ab initio SCF calculations using several basis sets have been performed on a number of structural isomers of Si2H 2 and Si2H4. and their nature of bonding has been studied on the basis of bond index, valency and localized molecular orbitals (LMOs). Excepting the transition states, the stability of t
The structure of the (SO2) 2 dimer involving one or two S-O bonds has been investigated by means of ab initio calculations at the PUMP4/6-31 + G\*//UMP2/6-31 + G\* level. Two minima with one S-O bond are found; their formation energies are in reasonable agreement with experimental data. Two bifurcat