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
β¦ LIBER β¦
Trinitromethyl anion. An ab initio MO study of its structure
β Scribed by Hermann M. Niemeyer
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 241 KB
- Volume
- 50
- Category
- Article
- ISSN
- 0022-2860
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