Hirshfeld atom refinement of metal–organic frameworks for accurate positioning of hydrogen atoms and disorder analysis-Reference-Cited by-同舟云学术

Hirshfeld atom refinement of metal–organic frameworks for accurate positioning of hydrogen atoms and disorder analysis

Published:2023 Issue:57 Volume:59 Page:8799-8802
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Xu Yizhi¹^ORCID,Chodkiewicz Michał L.¹^ORCID,Woińska Magdalena¹^ORCID,Trzybiński Damian²^ORCID,Brekalo Ivana³^ORCID,Topić Filip⁴^ORCID,Woźniak Krzysztof¹^ORCID,Arhangelskis Mihails¹^ORCID

Affiliation:

1. Faculty of Chemistry, University of Warsaw, 1 Pasteura Street, 02-093 Warsaw, Poland

2. Biological and Chemical Research Centre, University of Warsaw, 101 Żwirki i Wigury Street, 02-089 Warsaw, Poland

3. Department of Physical Chemistry, Ruđer Bošković Institute, Bijenička Cesta 54, 10000 Zagreb, Croatia

4. Department of Chemistry, McGill University, 801 Sherbrooke Street West, Montreal H3A 0B8, Canada

Abstract

The application of Hirshfeld atom refinement (HAR) fragmentation is demonstrated for the refinement of metal–organic framework (MOF) crystal structures.

Funder

European Social Fund

Narodowe Centrum Nauki

Hrvatska Zaklada za Znanost

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CC/D3CC01369C

Reference49 articles.

1. Extra adsorption and adsorbate superlattice formation in metal-organic frameworks

2. High Methane Storage Working Capacity in Metal–Organic Frameworks with Acrylate Links

3. Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake

4. Water-resistant porous coordination polymers for gas separation

5. Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites