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
* 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
To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.
If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.
If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.
Read more about how to correctly acknowledge RSC content.
Fetching data from CrossRef.
This may take some time to load.
Loading related content