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Pyridyl thiosemicarbazide: synthesis, crystal structure, DFT/B3LYP, molecular docking studies and its biological investigations

N-(pyridin-2-yl)hydrazinecarbothioamide has been synthesized and characterized by single-crystal X-ray and spectroscopic techniques. Furthermore, its geometry optimization, calculated vibrational frequencies, non-linear optical properties, electrostatic potential and average local ionization energy...

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Detalles Bibliográficos
Autor principal:	Abu-Melha, Sraa
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2018
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6768131/ https://www.ncbi.nlm.nih.gov/pubmed/30269227 http://dx.doi.org/10.1186/s13065-018-0469-3

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