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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...

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Detalles Bibliográficos
Autores principales:	Sakr, Mahmoud A. S., Sherbiny, Farag F., El-Etrawy, Abd-Allah Sh.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer US 2022
Materias:	Review
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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