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Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications
Due to numerous pharmaceutical and biological activities hydrazone (TC) based materials, it was important to investigate quantum chemical studies such as Density functional theory (DFT) calculations, natural bond orbital (NBO) analysis, molecular electrostatic potential (MESP), and local reactivity...
Autores principales: | Sakr, Mahmoud A. S., Sherbiny, Farag F., El-Etrawy, Abd-Allah Sh. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer US
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9402755/ https://www.ncbi.nlm.nih.gov/pubmed/35737283 http://dx.doi.org/10.1007/s10895-022-03000-6 |
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