Theoretical calculation on relationship between molecular structure and band gap of benzo[1,2-b:4,5-b']dithiophene based homopolymer

DOI10.1007/S10910-014-0390-5MaRDI QIDQ500694zbMATH OpenOpenAlexFDO

Authors Shaojie Chen, Xingye Zhang, Zhiyang Liu, Ziyi Ge

Publication date 5 October 2015

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-014-0390-5

zbMATH Keywords

band gapcoplanaritystructure-property relationshiptheoretical calculation

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Chemistry (92E99)

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Cites work

• GAUSSIAN
• scientific article; zbMATH DE number 1156308 (Why is no real title available?)

Cited in

(1)

• Theoretical study of oligophenyl-based double barrier molecular device

Describes a project that uses

Uses Software

• GAUSSIAN
• Materials Studio
• GaussView

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