Computational Evaluation of the Impact of Incorporated Nitrogen and Oxygen Heteroatoms on the Affinity of Polyaromatic Ligands for Carbon Dioxide and Methane in Metal-Organic Frameworks

Alice Henley; Matthew J. Lennox; Timothy L. Easun; Florian Moreau; Martin Schroder; Elena Besley

doi:10.1021/acs.jpcc.6b08767

Computational Evaluation of the Impact of Incorporated Nitrogen and Oxygen Heteroatoms on the Affinity of Polyaromatic Ligands for Carbon Dioxide and Methane in Metal-Organic Frameworks

Alice Henley, Matthew J. Lennox, Timothy L. Easun, Florian Moreau, Martin Schroder, Elena Besley

Chemistry

Research output: Contribution to journal › Article › peer-review

Original language	English
Journal	Journal of Physical Chemistry C
DOIs	https://doi.org/10.1021/acs.jpcc.6b08767
Publication status	Published - 2016

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10.1021/acs.jpcc.6b08767

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@article{27d05a81649447cb844aa2710c767b1d,

title = "Computational Evaluation of the Impact of Incorporated Nitrogen and Oxygen Heteroatoms on the Affinity of Polyaromatic Ligands for Carbon Dioxide and Methane in Metal-Organic Frameworks",

author = "Alice Henley and Lennox, {Matthew J.} and Easun, {Timothy L.} and Florian Moreau and Martin Schroder and Elena Besley",

year = "2016",

doi = "10.1021/acs.jpcc.6b08767",

language = "English",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "American Chemical Society",

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T1 - Computational Evaluation of the Impact of Incorporated Nitrogen and Oxygen Heteroatoms on the Affinity of Polyaromatic Ligands for Carbon Dioxide and Methane in Metal-Organic Frameworks

AU - Henley, Alice

AU - Lennox, Matthew J.

AU - Easun, Timothy L.

AU - Moreau, Florian

AU - Schroder, Martin

AU - Besley, Elena

PY - 2016

Y1 - 2016

UR - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000389624400027&KeyUID=WOS:000389624400027

U2 - 10.1021/acs.jpcc.6b08767

DO - 10.1021/acs.jpcc.6b08767

M3 - Article

SN - 1932-7447

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

ER -