Predicting solvent effects on the structure of porous organic molecules

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

Research output: Contribution to journalArticlepeer-review

20 Citations (Scopus)
180 Downloads (Pure)

Abstract

A computational approach for the prediction of the open, metastable, conformations of porous organic molecules in the presence of solvent is developed.
Original languageEnglish
Pages (from-to)15542-15545
JournalChemical Communications
Volume51
Issue number85
Early online date02 Sep 2015
DOIs
Publication statusPublished - 04 Nov 2015

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