From Oxo to Oxyl to Biradical: Systematic Multireference Calculations of Methane Activation at MOF Nodes
J
Jacob J. Wardzala
(Department of Chemistry)
Y
Younghwan Kim
(Department of Chemistry)
R
Rishu Khurana
(Department of Chemistry)
M
Mukunda Mandal
(Department of Chemistry)
M
Massimiliano Delferro
(Chemical Sciences and Engineering Division)
C
Cong Liu
L
Laura Gagliardi
Article Details
Volume / Issue
Vol. 148, Issue 26
Published
July 08, 2026
Pages
27411-27420
ISSN
0002-7863
Publisher
American Chemical Society
Journal Info
Journal of the American Chemical Society
American Chemical Society
ISSN: 0002-7863 Physical Sciences
Authors (7)
J
Jacob J. Wardzala
Department of Chemistry
Y
Younghwan Kim
Department of Chemistry
R
Rishu Khurana
Department of Chemistry
M
Mukunda Mandal
Department of Chemistry
M
Massimiliano Delferro
Chemical Sciences and Engineering Division
C
Cong Liu
L
Laura Gagliardi
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