What Active Space Adequately Describes Oxygen Activation by a Late Transition Metal? CASPT2 and RASPT2 Applied to Intermediates from the Reaction of O2with a Cu(I)-α-Ketocarboxylate

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Description article by Stefan M Huber et al published 10 November 2009 in Journal of Chemical Theory and Computation
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author: Christopher Cramer  Stefan M Huber  Laura Gagliardi 

Publication date November 10, 2009
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