分子力場の方法による有機立体配座解析の研究--最近の進歩

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Recent applications of molecular mechanics calculations to organic conformational analysis are reviewed. Static conformational aspects of the following compounds are discussed : saturated hydrocarbons including n-hexadecane, di-t-butylethane and 1, 1, 2, 2- tetra-t- butylethane, cycloalkanes including 1, 2-di -t- butylcyclohexanes, nonconjugated olefins including cyclodeca -1, 6- diene and tetra -t- butylethylene, aromatics and conjugated olefins including bianthrone, polyarylated ethanes, hexaphenylethane, cyclophanes, 1, 3, 6, 8-tetra-t- butylnaphthalene, systems containing hetero atoms such as oxygen, halo and silicone, and biologically interesting molecules including steroids and cyclotetraglycyl. Dynamic conformational aspects including internal rotation, pseudorotation and racemization of metacyclophane, [6] helicene and 1, 1'-binaphthyl, and flexibility of bicyclo [3.3.1] nonane and bicyclo [3.3.2] decane are also discussed.
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