Structure électronique de dérivés sulfures. XI. Thiétanne et dérivés
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The conformations of thietane, thietane sulfoxide, and their 3-chloro derivatives were obtained theoretically by minimization of the energy with respect to geometric parameters using the semi-empirical CNDO/2 method extended to the third period. The results agree well with known experimental data. The respective stabilities of the different conformers are explained by partial energy results obtained by a bicentric partition of the total potential energy of the molecules. [Journal translation]
2009 ◽
Vol 465
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pp. 2217-2230
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2022 ◽
Vol 182
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pp. 121921
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2008 ◽
Vol 222
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pp. 1839-1846
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1970 ◽
Vol 317
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pp. 279-291
2014 ◽
Vol 06
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pp. 1450078
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