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How delocalized are the polyacenes?

Mrovec, M; Gill, PMW

Gill, PMW (通讯作者),Univ Sydney, Sch Chem, Camperdown, NSW 2006, Australia.

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2023; ():

Abstract

In an attempt to quantify electron delocalization in polyacenes with up to 50 carbon atoms, we have performed self-consistent field calculations in wh......

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