Olefin Epoxidation by Molybdenum and Rhenium Peroxo and Hydroperoxo Compounds:  A Density Functional Study of Energetics and Mechanisms von Gisdakis, Philip, Yudanov, Ilya V, Rösch, Notker

Volltext

Adsorption of transition metal atoms on oxygen vacancies and regular sites of the MgO(001) surface von Matveev, Alexei V., Neyman, Konstantin M., Yudanov, Ilya V., Rösch, Notker

Volltext

Mechanism of olefin epoxidation with transition metal peroxo complexes: DFT study von Yudanov, I. V.

Volltext

An indirectly heated metal oxide hot cathode with a 100-cm2 area von Ivanov, M. M., Karelin, V. I., Gorokhov, V. V., Chernyshov, V. A., Filatov, I. V., Ignatov, M. A., Tsitsilin, P. A., Sokolov, A. M., Galina, N. M., Yudanov, V. I.

Volltext

Cluster Quantum Chemical Study of the Interaction of Dimethyl Methylphosphonate with Magnesium Oxide von Zhanpeisov, N. U, Zhidomirov, G. M, Yudanov, I. V, Klabunde, K. J

Volltext

Simulation of heterogeneous catalysts and catalytic processes using the density functional method von Nasluzov, V. A., Ivanova-Shor, E. A., Shor, A. M., Yudanov, I. V., Rösch, N.

Volltext

Olefin Epoxidation by Peroxo Complexes of Cr, Mo, and W. A Comparative Density Functional Study von Di Valentin, Cristiana, Gisdakis, Philip, Yudanov, Ilya V, Rösch, Notker

Volltext

Molecular models of catalytically active sites in zeolites. Quantum chemical approach von Zhidomirov, G.M, Yakovlev, A.L, Milov, M.A, Kachurovskaya, N.A, Yudanov, I.V

Volltext

ChemInform Abstract: Mechanism of Olefin Epoxidation with Transition Metal Peroxo Complexes: DFT Study von Yudanov, I. V.

Volltext

Molecular models of active sites of C1 and C2 hydrocarbon activation von Zhidomirov, G.M., Avdeev, V.I., Zhanpeisov, N.U., Zakharov, I.I., Yudanov, I.V.

Volltext

On some ways of modifying semiempirical quantum chemical methods von Zhidomirov, G. M., Zhanpeisov, N. U., Zilberberg, I. L., Yudanov, I. V.

Volltext

Olefin epoxidation by mono and bisperoxo complexes of Mo(VI): a density functional model study: Physical Methods for Catalytic Research at the Molecular Level: Dedicated to the Mem... von YUDANOV, I. V, DI VALENTIN, C, GISDAKIS, P, RÖSCH, N

Volltext

ChemInform Abstract: Simulation of Heterogeneous Catalysts and Catalytic Processes Using the Density Functional Method von Nasluzov, V. A., Ivanova-Shor, E. A., Shor, A. M., Yudanov, I. V., Roesch, N.

Volltext

Ab initio quantum chemical calculation of the electronic structure of the chelate complex Ni(S2C2H2)2 von Zakharov, I. I., Startsev, A. N., Yudanov, I. V., Zhidomirov, G. M.

Volltext

Ab initio calculations of interaction between the hydrated Fe2+ ion and molecular ozone von Zakharov, I. I., Kolbasina, O. I., Semenyuk, T. N., Yudanov, I. V., Tyupalo, N. F., Zhidomirov, G. M.

Volltext

Molecular models of catalytically active sites in zeolites. Quantum chemical approach von ZHIDOMIROV, G. M, YAKOVLEV, A. L, MILOV, M. A, KACHUROVSKAYA, N. A, YUDANOV, I. V

Volltext

ChemInform Abstract: Molecular Models of Catalytically Active Sites in Zeolites. Quantum Chemical Approach von Zhidomirov, G. M., Yakovlev, A. L., Milov, M. A., Kachurovskaya, N. A., Yudanov, I. V.

Volltext

Molecular models of active sites of C1 and C2 hydrocarbon activation von ZHIDOMIROV, G. M, AVDEEV, V. I, ZHANPEISOV, N. U, ZAKHAROV, I. I, YUDANOV, I. V

Volltext

Pd Segregation on the Surface of Bimetallic PdAu Nanoparticles Induced by Low Coverage of Adsorbed CO von Mamatkulov, Mikhail, Yudanov, Ilya V, Bukhtiyarov, Andrey V, Prosvirin, Igor P, Bukhtiyarov, Valerii I, Neyman, Konstantin M

Volltext

Size Dependence of the Adsorption Energy of CO on Metal Nanoparticles: A DFT Search for the Minimum Value von Yudanov, Ilya V, Genest, Alexander, Schauermann, Swetlana, Freund, Hans-Joachim, Rösch, Notker

Volltext