Properties of the silver cyclic amide Ag-2(C4H4NO2)(2)(H2O) crystal from the periodic DFT computations

Properties of the silver cyclic amide Ag-2(C4H4NO2)(2)(H2O) crystal from the periodic DFT computations

A molecular crystal of silver cyclic amide Ag-2(C4H4NO2)(2)(H2O) is studied using first-principles density functional theory calculations within the generalized gradient approximation (GGA). A number of different exchange-correlation functionals are considered for a possible treatment of the system....

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Autor principal:	Stashans, A. (author)
Altres autors:	Castillo Malla, D. (author)
Format:	article
Publicat:	2017
Matèries:	generalized gradient approximation antimicrobial activity complexes acid oxygen atoms
Accés en línia:	http://dx.doi.org/10.1134/S0022476614040052 http://dspace.utpl.edu.ec/handle/123456789/19081
Etiquetes:	Afegir etiqueta Sense etiquetes, Sigues el primer a etiquetar aquest registre!

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