An ab Initio MO Study of Structure and Reactivity of 4-Silatriafulvene
✍ Scribed by Veszprémi, Tamás; Takahashi, Masae; Ogasawara, Jun; Sakamoto, Kenkichi; Kira, Mitsuo
- Book ID
- 126029617
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 149 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0002-7863
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📜 SIMILAR VOLUMES
The bond Zen#hs and angles obtained by means of a 4-31G basis agee aith electron diffraction ddtd\_ The calculated Si-0-Si bending potenti& shoning a minimum for the linear xrangement. is discussed \\ith regard to avadsble experimental information. Calcutated dipole moments and ionization potenti&
Butalene as a structural isomer of pbenxyne has been studied by using an ab initio GVB wavefunction. The geometry of butalene, which is shown to be almost rectangular, is first optimized as a local minimum on the energy surface at the ab initio level. However, the energy barrier of conversion to p-b