Issue 85, 2015
From the journal:

Chemical Communications

Predicting solvent effects on the structure of porous organic molecules†

Valentina Santolini,a   Gareth A. Tribellob  and  Kim E. Jelfs*a  

* 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

Abstract

A computational approach for the prediction of the open, metastable, conformations of porous organic molecules in the presence of solvent is developed.

Graphical abstract: Predicting solvent effects on the structure of porous organic molecules

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Article information

DOI
https://doi.org/10.1039/C5CC05344G
Article type
Communication
Submitted
29 Jun 2015
Accepted
28 Aug 2015
First published
02 Sep 2015
This article is Open Access
Creative Commons BY license

Chem. Commun., 2015,51, 15542-15545

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Predicting solvent effects on the structure of porous organic molecules

V. Santolini, G. A. Tribello and K. E. Jelfs, Chem. Commun., 2015, 51, 15542 DOI: 10.1039/C5CC05344G

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