A DFT Study of Structural and Bonding Properties of Complexes Obtained from First-Row Transition Metal Chelation by 3-Alkyl-4-phenylacetylamino-4,5-dihydro-1H-1,2,4-triazol-5-one and Its Derivatives

Density functional calculations were used to explore the complexation of 3-alkyl-4-phenylacetylamino-4,5-dihydro-1h-1,2,4-triazol-5-one (ADPHT) derivatives by first-row transition metal cations. Neutral ADPHT ligand and mono deprotonated ligands have been used. Geometry optimizations have been perfo...

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Detalhes bibliográficos
Publicado no:Bioinorg Chem Appl
Main Authors: Jean Nono, Hubert, Bikélé Mama, Désiré, Ghogomu, Julius Numbonui, Younang, Elie
Formato: Artigo
Idioma:Inglês
Publicado em: Hindawi 2017
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5512031/
https://ncbi.nlm.nih.gov/pubmed/28757814
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2017/5237865
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