Multilayer Divide-Expand-Consolidate Coupled-Cluster...

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Journal of Physical Chemistry A 2019 / 09

Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in Mg-MOF-74 Metal-Organic Framework

Barnes, Ashleigh L., Bykov, Dmytro, Lyakh, Dmitry I., Straatsma, Tjerk P.
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Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.9b08077
Date:
September, 2019
File:
PDF, 2.76 MB
2019
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