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• W2009797475 startingPage "9738" @default.
• W2009797475 abstract "The structure, binding energies, and vibrational frequencies have been determined for CuNO2 and AgNO2 in different coordination modes. Calculations have been performed using ab initio theoretical methods that include electron correlation and methods based on the density functional approach. Three structures are found to be stable minima on the potential energy surface: the C2v bidentate η2–O,O, a Cs monodentate η1–O and the C2v monodentate η1–N structures. For both CuNO2 and AgNO2 systems the η2-O,O coordination is found to be the most stable structure. The computed dissociation energies of CuNO2 and AgNO2 are 56 and 47 kcal/mol, respectively." @default.
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• W2009797475 date "1995-12-08" @default.
• W2009797475 modified "2023-10-18" @default.
• W2009797475 title "Theoretical study of the bonding of NO2 to Cu and Ag" @default.
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• W2009797475 doi "https://doi.org/10.1063/1.469937" @default.
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