The HF, MP2, QCISD(T), G1, G2, and G2MP2 ab initio and twenty-two density functional theory (DFT) methods were used to perform the computational studies of the syn-and cis-diazene transformation into trans-diazene. In all calculations the Gaussian type 6-311 + G(2d,2p) basis set was used. The DFT co
Density functional theory (DFT) and ab initio investigations of the electronic and molecular structures of the monomer and the dimer of trimethylaluminium
β Scribed by Hong Gong-Yi; Cao Xiao-Yan; Wang Dian-Xun; Li Le-Mm; Xu Guang-Xian
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 241 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0256-7660
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