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Revitalizing the concept of bond order through delocalization measures in real space

Ab initio quantum chemistry is an independent source of information supplying an ever widening group of experimental chemists. However, bridging the gap between these ab initio data and chemical insight remains a challenge. In particular, there is a need for a bond order index that characterizes nov...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Veröffentlicht in:Chem Sci
Hauptverfasser: Outeiral, Carlos, Vincent, Mark A., Martín Pendás, Ángel, Popelier, Paul L. A.
Format: Artigo
Sprache:Inglês
Veröffentlicht: Royal Society of Chemistry 2018
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6049528/
https://ncbi.nlm.nih.gov/pubmed/30061983
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8sc01338a
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