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Correction: Enhanced 5f-δ bonding in [U(C7H7)2]: C K-edge XAS, magnetism, and ab initio calculations

Yusen Qiao a, Gaurab Ganguly b, Corwin H. Booth a, Jacob A. Branson ac, Alexander S. Ditter a, Daniel J. Lussier ac, Liane M. Moreau a, Dominic R. Russo ac, Dumitru-Claudiu Sergentu b, David K. Shuh a, Taoxiang Sun a, Jochen Autschbach *b and Stefan G. Minasian *a
aChemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. E-mail: sgminasian@lbl.gov
bDepartment of Chemistry, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA. E-mail: jochena@buffalo.edu
cDepartment of Chemistry, University of California, Berkeley, CA 94720, USA

Received 17th November 2021 , Accepted 17th November 2021

First published on 24th November 2021


Abstract

Correction for ‘Enhanced 5f-δ bonding in [U(C7H7)2]: C K-edge XAS, magnetism, and ab initio calculations’ by Yusen Qiao et al., Chem. Commun., 2021, 57, 9562–9565, DOI: 10.1039/D1CC03414F.


The authors regret that two references to the multi-configurational pair-density functional theory methods used in the wavefunction calculations did not appear in the main article. The references were originally included in the Methods section of the Electronic Supplementary Information as ref. 17a and b, but should also have appeared in the second paragraph on page 9564. The references are listed below as ref. 1 and 2.

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

References

  1. G. Li Manni, R. K. Carlson, S. Luo, D. Ma, J. Olsen, D. G. Truhlar and L. Gagliardi, J. Chem. Theory Comput., 2014, 10, 3669–3680 CrossRef CAS PubMed.
  2. R. K. Carlson, G. L. Manni, A. L. Sonnenberger, D. G. Truhlar and L. Gagliardi, J. Chem. Theory Comput., 2015, 11, 82–90 CrossRef CAS PubMed.

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