Title: Accurate calculations of geometries and singlet-triplet energy differences for active-site models of [NiFe] hydrogenase
Authors: Delcey, Mickael G ×
Pierloot, Kristine
Phung, Quan M
Vancoillie, Steven
Lindh, Roland
Ryde, Ulf #
Issue Date: 2014
Publisher: Royal Society of Chemistry
Series Title: Physical Chemistry Chemical Physics vol:16 issue:17 pages:7927-7938
ISSN: 1463-9076
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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