Properties of the silver cyclic amide Ag2(C4H4NO2)2(H2O) crystal from the periodic DFT computations

Properties of the silver cyclic amide Ag2(C4H4NO2)2(H2O) crystal from the periodic DFT computations

© 2014 Pleiades Publishing, Ltd.A molecular crystal of silver cyclic amide Ag2(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 poss...

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Autor principal: Stashans, A. (author)
Formato: article
Publicado: 2014
Materias:
chemical bonding
Acceso en línea:http://dspace.utpl.edu.ec/handle/123456789/18784
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http://dspace.utpl.edu.ec/handle/123456789/18784

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