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Steering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences

MPS-Authors
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Heidari,  Maziar
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Cortes Huerto,  Robinson
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Potestio,  Raffaello
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Kremer,  Kurt
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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1.5117780.pdf
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Citation

Heidari, M., Cortes Huerto, R., Potestio, R., & Kremer, K. (2019). Steering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences. The Journal of Chemical Physics, 151(14): 144105. doi:10.1063/1.5117780.


Cite as: http://hdl.handle.net/21.11116/0000-0004-E3D7-9
Abstract
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