Theoretical studies on the structures an
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Shengyu Feng; Dacheng Feng; Conghao Deng
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Article
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1993
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Elsevier Science
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English
β 420 KB
The potential energy surface of the singlet silylenoid H,SiNaF has been examined by ab initio calculations. The 3-21G and 6-3 1 G\* basis sets were used for full geometry optimizations. Four equilibrium structures and three isomeric transition states were located. The calculations have shown that th