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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| 格式: | article |
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2014
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| 在线阅读: | http://dspace.utpl.edu.ec/handle/123456789/18784 |
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