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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...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Chem Sci
Prif Awduron: Outeiral, Carlos, Vincent, Mark A., Martín Pendás, Ángel, Popelier, Paul L. A.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Royal Society of Chemistry 2018
Pynciau:
Mynediad Ar-lein: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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