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Calculation of conformational free energy and entropy of chain molecules with long-range interactions

✍ Scribed by Collet, Olivier; Premilat, Samuel


Book ID
127382426
Publisher
American Chemical Society
Year
1993
Tongue
English
Weight
604 KB
Volume
26
Category
Article
ISSN
0024-9297

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A method for calculating the number of rotamers of a linear alkane and of the number of rotamers with a given number of gauche conformations along the chain as a function of the total number of atoms in the chain, using general equations, is presented. A graphical method for generating individual ro