Quantum Monte Carlo Calculations of Catalytic Energy Barriers in a Metallorganic Framework with Transition-Metal-Functionalized Nodes

Anouar Benali, Ye Luo, Hyeondeok Shin, Dale Pahls, Olle Heinonen

Research output: Contribution to journalArticle

1 Citation (Scopus)
Original languageEnglish (US)
Pages (from-to)16683-16691
Number of pages9
JournalJournal of Physical Chemistry C
Volume122
Issue number29
DOIs
StatePublished - 2018

Cite this

Quantum Monte Carlo Calculations of Catalytic Energy Barriers in a Metallorganic Framework with Transition-Metal-Functionalized Nodes. / Benali, Anouar; Luo, Ye; Shin, Hyeondeok; Pahls, Dale; Heinonen, Olle.

In: Journal of Physical Chemistry C, Vol. 122, No. 29, 2018, p. 16683-16691.

Research output: Contribution to journalArticle

Benali, Anouar ; Luo, Ye ; Shin, Hyeondeok ; Pahls, Dale ; Heinonen, Olle. / Quantum Monte Carlo Calculations of Catalytic Energy Barriers in a Metallorganic Framework with Transition-Metal-Functionalized Nodes. In: Journal of Physical Chemistry C. 2018 ; Vol. 122, No. 29. pp. 16683-16691.
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AU - Pahls, Dale

AU - Heinonen, Olle

PY - 2018

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