The Dependence of Implicit Solvent Model Parameters and Electronic Absorption Spectra and Photoinduced Charge Transfer

In this work, the relationship between multiple solvent parameters and charge transfer index was analyzed by multi-factor multi-variate partial least squares regression (PLSR). The charge transfer of the molecule is visualized by the analysis of the excited state wave function. Hydrogen bond basicit...

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Detalles Bibliográficos
Autores principales: Chen, Xiangtao, Qiao, Wenhua, Miao, Wenjing, Zhang, Yangdong, Mu, Xijiao, Wang, Jingang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7048810/
https://www.ncbi.nlm.nih.gov/pubmed/32111955
http://dx.doi.org/10.1038/s41598-020-60757-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7048810/
https://www.ncbi.nlm.nih.gov/pubmed/32111955
http://dx.doi.org/10.1038/s41598-020-60757-1

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