Theoretical Evaluation of the Influence of Molecular Packing Mode on the Intramolecular Reorganization Energy of Oligothiophene Molecules

Accurate determination of the relationships among packing mode, molecular structure and charge transfer mobility for oligothiophene analogues has been significantly impeded, due to the lack of crystal structure information. In the current study, molecular dynamics (MD) were used to investigate the p...

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Detalles Bibliográficos
Autores principales: Zhang, Bing, Xu, Yingxue, Zhu, Lilin, Zhou, Shijie, Liao, Yinjie, Zhou, Kaixuan, Yao, Jianxi, Dai, Songyuan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6414849/
https://www.ncbi.nlm.nih.gov/pubmed/30966065
http://dx.doi.org/10.3390/polym10010030

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6414849/
https://www.ncbi.nlm.nih.gov/pubmed/30966065
http://dx.doi.org/10.3390/polym10010030

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