Ab initio study on the dimer structures of trimethylaluminum and dimethylaluminumhydride
β Scribed by Yoshiko Someya Hiraoka; Masao Mashita
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 396 KB
- Volume
- 145
- Category
- Article
- ISSN
- 0022-0248
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Ab initio SCF calculations with the 6 -3 1 ~ basis set for the thymine dimer (cys-syn form) and the thymine dimer radical cation are reported. The fusion of the thymine bases at the C5 and C6 positions involves the formation of a cyclobutane ring with puckering. The puckering causes a notable differ
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