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Performance of 3D-RISM-KH in Predicting Hydration Free Energy: Effect of Solute Parameters

Dipankar Roy1, Andriy Kovalenko1,2

  • 1Department of Mechanical Engineering , University of Alberta , 10-203 Donadeo Innovation Centre for Engineering, 9211-116 Street NW , Edmonton , Alberta T6G 1H9 , Canada.

The Journal of Physical Chemistry. A
|April 18, 2019
PubMed

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