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Elucidating the Interaction of CO 2 in the Giant Metal-Organic Framework MIL-100 through Large-Scale Periodic Ab Initio Modeling (2019)

First Author: D'Amore M

Attributed to: Software Engineering - In Support of the Exascale funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpcc.9b06533

Publication URI: http://dx.doi.org/10.1021/acs.jpcc.9b06533

Type: Journal Article/Review

Parent Publication: The Journal of Physical Chemistry C

Issue: 47