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What Active Space Adequately Describes Oxygen Activation by a Late Transition Metal? CASPT2 and RASPT2 Applied to Intermediates from the Reaction of O2 with a Cu(I)-α-Ketocarboxylate

Published inJournal of chemical theory and computation, vol. 5, no. 11, p. 2967-2976
Publication date2009
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Citation (ISO format)
HUBER, Stefan Matthias et al. What Active Space Adequately Describes Oxygen Activation by a Late Transition Metal? CASPT2 and RASPT2 Applied to Intermediates from the Reaction of O2 with a Cu(I)-α-Ketocarboxylate. In: Journal of chemical theory and computation, 2009, vol. 5, n° 11, p. 2967–2976. doi: 10.1021/ct900282m
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ISSN of the journal1549-9618
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