Influence of flexible side-chains on the breathing phase transition of pillared layer MOFs: a force field investigation
Author:
Affiliation:
1. Computational Materials Chemistry Group
2. Faculty of Chemistry and Biochemistry
3. Ruhr-Universität Bochum
4. 44801 Bochum
5. Germany
Abstract
MOF-FF was fitted for flexible linkers and used to investigate the breathing phase transition of MOFs with flexible side-chains.
Funder
Deutsche Forschungsgemeinschaft
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2021/FD/D0FD00017E
Reference39 articles.
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5. Very Large Breathing Effect in the First Nanoporous Chromium(III)-Based Solids: MIL-53 or CrIII(OH)·{O2C−C6H4−CO2}·{HO2C−C6H4−CO2H}x·H2Oy
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