Molecular Modelling Based on TD-DFT Applied to UV Spectra of Coumarin Derivatives
The optimization of geometry and electronic transition of seven coumarin derivatives for sunscreen activity have been conducted using Orca. DFT methods is applied to find optimum geometry and parameter data is measured like bond length and bond angle. TD-DFT is conducted to get electronic transition...
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| Format: | Article |
| Language: | English |
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Department of Chemistry, Faculty of Science and Technology, Universitas Islam Negeri Walisongo Semarang
2023-07-01
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| Series: | Walisongo Journal of Chemistry |
| Subjects: | |
| Online Access: | https://journal.walisongo.ac.id/index.php/wjc/article/view/15696 |