Extension of the Universal Force Field for Metal–Organic Frameworks-Reference-Cited by-同舟云学术

Extension of the Universal Force Field for Metal–Organic Frameworks

Published:2016-09-14 Issue:10 Volume:12 Page:5215-5225
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Coupry Damien E.¹,Addicoat Matthew A.²,Heine Thomas²

Affiliation:

1. Software for Chemistry and Materials, Theoretical Chemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

2. Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Fakultät für Chemie und Mineralogie, Universität Leipzig, Linnéstr. 2, 04103 Leipzig, Germany

Funder

European Research Council

Seventh Framework Programme

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00664

Reference76 articles.

1. Design and synthesis of an exceptionally stable and highly porous metal-organic framework

2. A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation

3. Evaluating metal–organic frameworks for natural gas storage

4. Water-Stable Zirconium-Based Metal-Organic Framework Material with High-Surface Area and Gas-Storage Capacities

5. Tetrazine functionalized zirconium MOF as an optical sensor for oxidizing gases

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