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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| Formaat: | article |
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2017
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| Online toegang: | http://dx.doi.org/10.1134/S0022476614040052 http://dspace.utpl.edu.ec/handle/123456789/19081 |
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