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Title: Computational screening of metal–organic frameworks for biogas purification


A hierarchical screening process is used to find a potentially top-performing metal–organic framework for biogas purification.

ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]
  1. Department of Chemistry and Chemical Theory Center, University of Minnesota, Minneapolis, USA
  2. Department of Chemistry and Chemical Theory Center, University of Minnesota, Minneapolis, USA, Department of Chemical Engineering and Materials Science
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
Grant/Contract Number:  
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Molecular Systems Design & Engineering
Additional Journal Information:
Journal Name: Molecular Systems Design & Engineering Journal Volume: 4 Journal Issue: 6; Journal ID: ISSN 2058-9689
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom

Citation Formats

Demir, Hakan, Cramer, Christopher J., and Siepmann, J. Ilja. Computational screening of metal–organic frameworks for biogas purification. United Kingdom: N. p., 2019. Web. doi:10.1039/C9ME00095J.
Demir, Hakan, Cramer, Christopher J., & Siepmann, J. Ilja. Computational screening of metal–organic frameworks for biogas purification. United Kingdom. doi:10.1039/C9ME00095J.
Demir, Hakan, Cramer, Christopher J., and Siepmann, J. Ilja. Mon . "Computational screening of metal–organic frameworks for biogas purification". United Kingdom. doi:10.1039/C9ME00095J.
title = {Computational screening of metal–organic frameworks for biogas purification},
author = {Demir, Hakan and Cramer, Christopher J. and Siepmann, J. Ilja},
abstractNote = {A hierarchical screening process is used to find a potentially top-performing metal–organic framework for biogas purification.},
doi = {10.1039/C9ME00095J},
journal = {Molecular Systems Design & Engineering},
number = 6,
volume = 4,
place = {United Kingdom},
year = {2019},
month = {12}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C9ME00095J

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