UNIGE document Scientific Article
previous document  unige:6169  next document
add to browser collection
Title

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

Authors
Published in Journal of Chemical Theory and Computation. 2009, vol. 5, no. 11, p. 2967-2976
Identifiers
Full text
Structures
Research group Groupe Gagliardi
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. https://archive-ouverte.unige.ch/unige:6169

249 hits

152 downloads

Update

Deposited on : 2010-04-20

Export document
Format :
Citation style :