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A quantum chemical study of [1.1.1.1]pagodane and its related compounds

✍ Scribed by S. G. Semenov; A. G. Solovyeva

Book ID
110170616
Publisher
SP MAIK Nauka/Interperiodica
Year
2011
Tongue
English
Weight
91 KB
Volume
52
Category
Article
ISSN
0022-4766

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The alcoholysis of 1,2-thiazetidine 1,1-dioxide has been investigated using ab initio and density functional theory at HF/6-31G\*, MP2/6-31G\*//HF/6-31G\* and B3LYP/6-31G\* levels. The geometries, energies and frequencies of all stationary points were calculated in detail. Solvent effects have been