Understanding the Effect of Conformation on Hole Delocalization in Poly(dimethylsilane).
J Am Chem Soc
; 140(36): 11158-11160, 2018 09 12.
Article
em En
| MEDLINE
| ID: mdl-30114903
ABSTRACT
Density functional theory calculations confirm that the simple explanation of the origin of the striking conformational dependence of σ-electron localization/delocalization in polysilanes offered by the extremely simple Ladder C model is correct.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2018
Tipo de documento:
Article