Published in
Royal Society of Chemistry, Nanoscale, 2(14), p. 464-472, 2022
DOI: 10.1039/d1nr06687k
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A simple model to engineer single-molecule conductance of acenes by chemical disubstitution
Journal article published in 2022 by
Joel G. Fallaque 
,
Sandra Rodríguez-González ,
Cristina Díaz ,
Fernando Martín
,
Sandra Rodríguez-González ,
Cristina Díaz ,
Fernando Martín
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Abstract
Single-molecule conductance of π-conjugated acenes can be engineered by changing their length, the nature of the linkers and their relative positions following the variations in the HOMO energies, as dictated by a simple extended-Hückel method.