A review of methods for the calculation of solution free energies and the modelling of systems in solution
Author:
Affiliation:
1. School of Chemistry
2. University of St Andrews
3. St Andrews
4. UK
5. Cambridge Crystallographic Data Centre
6. Cambridge
Abstract
We discuss a multitude of methods aimed towards solvent modelling and solubility prediction, aiming to inform the reader of the options available, and outlining the various advantages and disadvantages of each approach.
Funder
Engineering and Physical Sciences Research Council
University of St Andrews
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP00288E
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