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DFT studies on vibrational and electronic spectra, HOMO–LUMO, MEP, HOMA, NBO and molecular docking analysis of benzyl-3-N-(2,4,5-trimethoxyphenylmethylene)hydrazinecarbodithioate

Benzyl-3-N-(2,4,5-trimethoxyphenylmethylene)hydrazinecarbodithioate (compound 1) is a bidentate and nitrogen-sulfur containing Schiff base, which has been synthesized by the condensation reaction of S-benzylndithiocarbazate and 2,4,5-trimethoxybenzaldehyde. The theoretical calculations of the mentio...

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Detalles Bibliográficos
Autores principales:	Mumit, Mohammad Abdul, Pal, Tarun Kumar, Alam, Md Ashraful, Islam, Md Al-Amin-Al-Azadul, Paul, Subrata, Sheikh, Md Chanmiya
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7305508/ https://www.ncbi.nlm.nih.gov/pubmed/32834109 http://dx.doi.org/10.1016/j.molstruc.2020.128715

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