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...

• מחבר ראשי: Stashans, A. (author)
• פורמט: article
• יצא לאור: 2014
• נושאים: chemical bonding
• גישה מקוונת: http://dspace.utpl.edu.ec/handle/123456789/18784