Adsorption of C1–C4 Alcohols in Zeolitic Imidazolate Framework-8: Effects of Force Fields, Atomic Charges, and Framework Flexibility-Reference-Cited by-同舟云学术

Adsorption of C1–C4 Alcohols in Zeolitic Imidazolate Framework-8: Effects of Force Fields, Atomic Charges, and Framework Flexibility

Published:2013-11-20 Issue:48 Volume:117 Page:25628-25635
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Zhang Kang¹,Zhang Liling²³,Jiang Jianwen¹

Affiliation:

1. Department of Chemical and Biomolecular Engineering, National University of Singapore, 117576, Singapore

2. Institute of High Performance Computing, 1 Fusionopolis Way, Connexis 138632, Singapore

3. Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Institute of Functional Nano & Soft Materials, Soochow University, Suzhou, Jiangsu 215123, China

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp409869c

Reference58 articles.

1. Reticular synthesis and the design of new materials

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4. Using molecular simulation to characterise metal–organic frameworks for adsorption applications

5. Understanding gas separation in metal–organic frameworks using computer modeling

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