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

DOI10.1007/S10910-014-0390-5zbMath1331.92166OpenAlexW2017149861MaRDI QIDQ500694

Xingye Zhang, Zhiyang Liu, Shaojie Chen, 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

coplanarityband gapstructure-property relationshiptheoretical calculation

Mathematics Subject Classification ID

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

Uses Software

• GAUSSIAN
• Materials Studio
• GaussView

Cites Work

• GAUSSIAN
• Unnamed Item

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