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Synthesis, Crystal Structure and Quantum Chemical Study on 3-Phenylamino-4-Phenyl-1,2,4-Triazole-5-Thione

3-Phenylamino-4-phenyl-1,2,4-triazole-5-thione was synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. Density functional theory calculations of the structure, natural bond orbitals, atomic charge distributions and thermodynamic functions of the title compou...

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Detalles Bibliográficos
Autores principales:	Wang, Hong-Yan, Zhao, Pu-Su, Li, Rong-Qing, Zhou, Su-Min
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Molecular Diversity Preservation International 2009
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6253766/ https://www.ncbi.nlm.nih.gov/pubmed/19214151 http://dx.doi.org/10.3390/molecules14020608

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