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Theoretical studies on octalene: the planar and nonplanar structures and the isomerization reactions among the nonplanar structures

✍ Scribed by Koseki, S.; Kataoka, M.; Hanamura, M.; Nakajima, T.; Toyota, A.


Book ID
120297114
Publisher
American Chemical Society
Year
1984
Tongue
English
Weight
759 KB
Volume
49
Category
Article
ISSN
0022-3263

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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