Predicted crystal energy landscapes of porous organic cages-Reference-Cited by-同舟云学术

Predicted crystal energy landscapes of porous organic cages

Published:2014 Issue:6 Volume:5 Page:2235-2245
ISSN:2041-6520
Container-title:Chem. Sci.
language:en
Short-container-title:Chem. Sci.

Author:

Pyzer-Knapp Edward O.¹²³,Thompson Hugh P. G.¹²³,Schiffmann Florian⁴⁵⁶,Jelfs Kim E.¹⁷⁸,Chong Samantha Y.⁹¹⁰¹¹,Little Marc A.⁹¹⁰¹¹,Cooper Andrew I.⁹¹⁰¹¹,Day Graeme M.¹²¹³¹⁴

Affiliation:

1. Department of Chemistry

2. University of Cambridge

3. Cambridge, UK

4. Department of Materials

5. ETH Zürich

6. CH-8093 Zürich, Switzerland

7. Imperial College London

8. London, UK

9. Department of Chemistry and Centre for Materials Discovery

10. University of Liverpool

11. Liverpool, UK

12. School of Chemistry

13. University of Southampton

14. Southampton, UK

Abstract

Computational methods predict the crystal packing of porous organic cage molecules, allowing crystal structure and porosity to be predicted starting from the chemical diagram alone.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2014/SC/C4SC00095A

Reference40 articles.

1. Recommendations for the characterization of porous solids (Technical Report)

2. Porous organic molecules

3. Modular Synthesis of Shape-Persistent Organic Cage Compounds: Molecular Precursors for a New Class of Permanent Porous Materials

4. A Permanent Mesoporous Organic Cage with an Exceptionally High Surface Area

5. Crystal structure prediction of small organic molecules: a second blind test

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