Leon
Freitag
a,
Stefan
Knecht
b,
Sebastian F.
Keller
b,
Mickaël G.
Delcey
c,
Francesco
Aquilante
cd,
Thomas Bondon
Pedersen
e,
Roland
Lindh
f,
Markus
Reiher
*b and
Leticia
Gonzalez
*a
aInstitut für theoretische Chemie, Universität Wien, Währinger Str. 17, 1090 Vienna, Austria. E-mail: leticia.gonzalez@univie.ac.at
bETH Zürich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland. E-mail: markus.reiher@phys.chem.ethz.ch
cDepartment of Chemistry – Ångström, The Theoretical Chemistry Programme, Uppsala University, Box 518, 751 20 Uppsala, Sweden
dDipartimento di Chimica ‘‘G. Ciamician’’, Università di Bologna, V. F. Selmi 2, 40126 Bologna, Italy
eCentre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo, Norway
fUppsala Center for Computational Chemistry - UC3, Uppsala University, Box 518, 751 20 Uppsala, Sweden
First published on 1st May 2015
Correction for ‘Orbital entanglement and CASSCF analysis of the Ru–NO bond in a Ruthenium nitrosyl complex’ by Leon Freitag et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/c4cp05278a.
Financial support from the University of Vienna, the COST Action CM1305 ‘‘Explicit Control Over Spin-states in Technology and Biochemistry’’ (STSM 21153), the Research Council of Norway through a Centre of Excellence Grant (Grant No. 179568/V30), the Italian Ministry of Education and Research (MIUR)-Grant No. RBFR1248UI, the Uppsala University, eSSENCE, and the Swedish Research Council (VR) is gratefully acknowledged. Furthermore, we thank Yingjin Ma for the help with the MAQUIS-MOLCAS interface, as well as Vladimir Arion and Gabriel Büchel for fruitful discussions.
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
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