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Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H(2)S gas

The application of nickel complexes of nicotinic acid hydrazide ligand as a potential gas-sensor and adsorbent material for H(2)S gas was examined using appropriate density functional theory (DFT) calculations with the ωB97XD/Gen/6-311++G(d,p)/LanL2DZ method. The FT-IR spectrum of the synthesized li...

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Detalles Bibliográficos
Autores principales:	Louis, Hitler, Etiese, Daniel, Unimuke, Tomsmith O., Owen, Aniekan E., Rajee, Abdulahi O., Gber, Terkumbur E., Chima, Chioma M., Eno, Ededet A., Nfor, Emmanuel N.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9590404/ https://www.ncbi.nlm.nih.gov/pubmed/36337983 http://dx.doi.org/10.1039/d2ra05456f

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