Predicting solvent effects on the structure of porous organic molecules

Valentina  Santolini; Gareth A. Tribello; Kim E. Jelfs

doi:10.1039/C5CC05344G

Predicting solvent effects on the structure of porous organic molecules

Valentina Santolini, Gareth A. Tribello, Kim E. Jelfs

School of Mathematics and Physics

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Abstract

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

Original language	English
Pages (from-to)	15542-15545
Journal	Chemical Communications
Volume	51
Issue number	85
Early online date	02 Sep 2015
DOIs	https://doi.org/10.1039/C5CC05344G
Publication status	Published - 04 Nov 2015

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10.1039/C5CC05344G

Predicting solvent effects on the structure of porous organic molecules
© 2015 The Authors This is an open access article published under a Creative Commons Attribution License (https://creativecommons.org/licenses/by/3.0/), which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
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title = "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.",

author = "Valentina Santolini and Tribello, {Gareth A.} and Jelfs, {Kim E.}",

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DO - 10.1039/C5CC05344G

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JF - Chemical Communications

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Predicting solvent effects on the structure of porous organic molecules

Abstract

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