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Theory and practice of uncommon molecular electronic configurations

The electronic configuration of the molecule is the foundation of its structure and reactivity. The spin state is one of the key characteristics arising from the ordering of electrons within the molecule's set of orbitals. Organic molecules that have open‐shell ground states and interesting phy...

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Detalles Bibliográficos
Autores principales: Gryn'ova, Ganna, Coote, Michelle L., Corminboeuf, Clemence
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley & Sons, Inc. 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5057308/
https://www.ncbi.nlm.nih.gov/pubmed/27774112
http://dx.doi.org/10.1002/wcms.1233