The role of the multiconfigurational character of nitronyl-nitroxide in the singlet–triplet energy gap of its diradicals
Author:
Affiliation:
1. Scuola Normale Superiore di Pisa
2. I-56126 Pisa
3. Italy
4. Dipartimento di Chimica e Chimica Industriale
5. Università di Pisa
6. Pisa
7. Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR)
8. Area della Ricerca
9. I-56124 Pisa
Abstract
CAS(2,2) reference may not be sufficient for the computation of singlet–triplet energy gap by DDCI.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP02165A
Reference96 articles.
1. O. Kahn , Molecular Magnetism , VCH , New York , 1993
2. Organic Diradicals and Polyradicals: From Spin Coupling to Magnetism?
3. Magnetism in future
4. E. Coronado , P.Delhaès , D.Gatteschi and J. S.Milles , Molecular Magnetism: From Molecular Assemblies to the Devices , Kluwer Academic Publishers , Dordrecht , 1996
5. D. Gatteschi , R.Sessoli and J.Villain , Molecular nanomagnets , Oxford University Press , New York , 2006
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