Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 140, Issue 36, Pages 11158-11160Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jacs.8b05829
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- National Science Foundation [CHE-1566435]
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Density functional theory calculations confirm that the simple explanation of the origin of the striking conformational dependence of sigma-electron localization/delocalization in polysilanes offered by the extremely simple Ladder C model is correct.
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