검색결과 : 11건
| No. | Article |
|---|---|
| 1 |
Scalable properties of metal clusters: A comparative DFT study of ionic-core treatments Marchal R, Yudanov IV, Matveev AV, Rosch N Chemical Physics Letters, 578, 92, 2013 |
| 2 |
How the C-O bond breaks during methanol decomposition on nanocrystallites of palladium catalysts Yudanov IV, Matveev AV, Neyman KM, Rosch N Journal of the American Chemical Society, 130(29), 9342, 2008 |
| 3 |
Adsorption of Cu4, Ag-4 and Au-4 particles on the regular MgO(001) surface: A density functional study using embedded cluster models Inntam C, Moskaleva LV, Yudanov IV, Neyman KM, Rosch N Chemical Physics Letters, 417(4-6), 515, 2006 |
| 4 |
Copper hydroxide catalysts for selective oxidation: Quantum chemical study of active sites Kosheleva AS, Yudanov IV, Zhidomirov GM, Parmon VN Reaction Kinetics and Catalysis Letters, 82(2), 347, 2004 |
| 5 |
CO adsorption on Pd nanoparticles: Density functional and vibrational spectroscopy studies Yudanov IV, Sahnoun R, Neyman KM, Rosch N, Hoffmann J, Schauermann S, Johanek V, Unterhalt H, Rupprechter G, Libuda J, Freund HJ Journal of Physical Chemistry B, 107(1), 255, 2003 |
| 6 |
Metal nanoparticles as models of single crystal surfaces and supported catalysts: Density functional study of size effects for CO/Pd(111) Yudanov IV, Sahnoun R, Neyman KM, Rosch N Journal of Chemical Physics, 117(21), 9887, 2002 |
| 7 |
Olefin epoxidation by molybdenum and rhenium peroxo and hydroperoxo compounds: A density functional study of energetics and mechanisms Gisdakis P, Yudanov IV, Rosch N Inorganic Chemistry, 40(15), 3755, 2001 |
| 8 |
Olefin epoxidation by mono and bisperoxo complexes of Mo(VI): a density functional model study Yudanov IV, Di Valentin C, Gisdakis P, Rosch N Journal of Molecular Catalysis A-Chemical, 158(1), 189, 2000 |
| 9 |
Molecular models of catalytically active sites in zeolites. Quantum chemical approach Zhidomirov GM, Yakovlev AL, Milov MA, Kachurovskaya NA, Yudanov IV Catalysis Today, 51(3-4), 397, 1999 |
| 10 |
Molecular-Models of Active-Sites of C-1 and C-2 Hydrocarbon Activation Zhidomirov GM, Avdeev VI, Zhanpeisov NU, Zakharov II, Yudanov IV Catalysis Today, 24(3), 383, 1995 |