Predicting solvent effects on the structure of porous organic molecules†
Abstract
A computational approach for the prediction of the open, metastable, conformations of porous organic molecules in the presence of solvent is developed.
* Corresponding authors
a
Department of Chemistry, Imperial College London, South Kensington, London, UK
E-mail:
k.jelfs@imperial.ac.uk
Web: http://www.twitter.com/JelfsCompChem
Tel: +44 (0)20759 43438
b Atomistic Simulation Centre, Department of Physics and Astronomy, Queen's University Belfast, University Road, Belfast, UK
A computational approach for the prediction of the open, metastable, conformations of porous organic molecules in the presence of solvent is developed.
V. Santolini, G. A. Tribello and K. E. Jelfs, Chem. Commun., 2015, 51, 15542 DOI: 10.1039/C5CC05344G
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.
Read more about how to correctly acknowledge RSC content.
Fetching data from CrossRef.
This may take some time to load.
Loading related content