Predicting cavity formation free energy: how far is the Gaussian approximation valid?
Abstract
We examine the range of validity of the Gaussian model for various water-like liquids whose intermolecular potentials differ from SPC/E
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* Corresponding authors
a Department of Bioengineering, University of California, Berkeley, USA
b Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK
c Institute for Computational Engineering and Sciences and Department of Chemical Engineering, University of Texas, Austin, USA
We examine the range of validity of the Gaussian model for various water-like liquids whose intermolecular potentials differ from SPC/E
T. Head-Gordon, R. M. Lynden-Bell, J. R. Dowdle and P. J. Rossky, Phys. Chem. Chem. Phys., 2012, 14, 6996 DOI: 10.1039/C2CP00046F
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