The Role of Polar Functional Groups of the Special Pair on the Excites States in Terms of the Dielectric Environment: Screened Range Separated Time-Dependent Density Functional Theory
We study the role of polar functional groups (PFGs) on the excited states and the changes of net charges on the charge transfer (CT) states in terms of dielectric constant using ab initio theory. It is found that the PFGs play a dielectric medium in which the side PFGs interact strongly with the inc...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Çanakkale Onsekiz Mart University
2025-03-01
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| Series: | Journal of Advanced Research in Natural and Applied Sciences |
| Subjects: | |
| Online Access: | https://dergipark.org.tr/en/download/article-file/4635099 |
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