Published in
Royal Society of Chemistry, Dalton Transactions, 40(45), p. 15910-15921, 2016
DOI: 10.1039/c6dt01625a
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Relativistic DFT and experimental studies of mono- and bis-actinyl complexes of an expanded Schiff-base polypyrrole macrocycle
Journal article published in 2016 by
Xiu-Jun Zheng,
Nicola L. Bell 
,
Charlotte J. Stevens,
Yu-Xi Zhong,
Georg Schreckenbach,
Polly L. Arnold,
Jason B. Love,
Qing-Jiang Pan
,
Charlotte J. Stevens,
Yu-Xi Zhong,
Georg Schreckenbach,
Polly L. Arnold,
Jason B. Love,
Qing-Jiang Pan
This paper is available in a repository.
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Abstract
Relativistic DFT calculations present accurate geometries of complexes and redox properties, confirmed by the newly-developed experimental syntheses.