Predicting solvent effects on the structure of porous organic molecules

Chemical Communications : Chem Comm
Valentina SantoliniKim E Jelfs

Abstract

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

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Citations

May 6, 2016·The Journal of Physical Chemistry. B·Martijn A ZwijnenburgKim E Jelfs
Apr 12, 2017·Nanoscale·Valentina SantoliniKim E Jelfs
May 5, 2017·Chemical Society Reviews·Jack D EvansChristian J Doonan
Sep 25, 2018·Journal of Computational Chemistry·Lukas TurcaniKim E Jelfs
Jun 17, 2020·Angewandte Chemie·Valentina AbetAnna G Slater
Aug 25, 2020·ChemPlusChem·Rebecca L Greenaway, Kim E Jelfs
Jan 22, 2021·Angewandte Chemie·Philippe WagnerMichael Mastalerz
Jul 12, 2017·ACS Central Science·Andrew I Cooper

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