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Accurate Free Energies of Micelle Formation †

✍ Scribed by Pool, René; Bolhuis, Peter G.


Book ID
126081957
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
145 KB
Volume
109
Category
Article
ISSN
0022-3654

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## Abstract The path‐based methods of free energy calculation, such as thermodynamic integration and free energy perturbation, are simple in theory, but difficult in practice because in most cases smooth paths do not exist, especially for large molecules. In this article, we present a novel method