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Orbital Polarization-Dependent Fragment Twist-Induced Intramolecular Electric-Field-Driven Charge Transfer
Defects, such as twisting, in fused aromatic hydrocarbons disrupt the plane of the [Formula: see text] orbital. The twisted structure induces an electric field in the system and affects the spectra. In this work, theoretical studies show that the intramolecular electric field within a distinctly twi...
Autores principales: | Bo, Wenjing, Sheng, Hao, Wang, Jingang |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9961529/ https://www.ncbi.nlm.nih.gov/pubmed/36838789 http://dx.doi.org/10.3390/molecules28041801 |
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