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À propos de : Thermodynamic Functions of Conformational Changes. 2. Conformational Entropy as aMeasure of Information Accumulation        

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  • Thermodynamic Functions of Conformational Changes. 2. Conformational Entropy as aMeasure of Information Accumulation
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  • Various folded molecular structures contain different amount of information. The relative amount of informationmay be related to relative entropy or entropy change. The conformational entropy change for n-butane hasbeen computed as the function of rotation around the central C−C bond. It appears that the g+ or g- conformerscontain about 16% more information than the anti-structure. Furthermore, the syn conformation with the twogroups eclipsed contained about 42% more information than the fully staggered anti orientation. Theconformational entropy function calculated from 3N − 7 internal degrees of freedom was found to be acontinuous function.
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