| 2007 | Galina P. Petrova, Georgi N. Vayssilov, and Notker Rösch: Density Functional Study of Hydrogen Adsorption on Tetrairidium Supported on Hydroxylated and Dehydroxylated Zeolite Surfaces. In: The Journal of Physical Chemistry C, 2007, 14484-14492 |
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| 2006 | Petko St. Petkov, Georgi N. Vayssilov, Sven Krüger, and Notker Rösch: Structure, stability, electronic and magnetic properties of Ni4 clusters containing impurity atoms. In: Phys. Chem. Chem. Phys., 2006, 1282-1291 |
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| 2006 | Miroslav A. Rangelov, Georgi N. Vayssilov, Vihra M. Yomtova and Dimiter D. Petkov: The Syn-Oriented 2-OH Provides a Favorable Proton Transfer Geometry in 1,2-Diol Monoester Aminolysis: Implications for the Ribosome Mechanism. In: Journal of the American Chemical Society, 2006, 4964-4965 |
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| 2005 | R. Ch. Deka, V. A. Nasluzov, E. A. Ivanova Shor, A. M. Shor, G. N. Vayssilov, N. Rösch: Comparison of All Sites for Ti Substitution in Zeolite TS-1 by an Accurate Embedded Cluster Method. In: Journal of Physical Chemistry B, 2005, 24304-24310 |
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| 2005 | E. A. Ivanova Shor, A. M. Shor, V. A. Nasluzov, G. N. Vayssilov, N. Rösch: Effects of the aluminum content of a zeolite framework: A DFT/MM hybrid approach based on cluster models embedded in an elastic polarizable environment. In: Journal of Chemical Theory and Computation, 2005, 459-471 |
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| 2005 | G. N. Vayssilov and N. Rösch: Reverse Hydrogen Spillover in Supported Subnanosize Clusters of the Metals of Groups 8 to 11. A Computational Model Study. In: Phys. Chem. Chem. Phys., 2005, 4019-4026 |
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| 2005 | Hristiyan A. Aleksandrov, Georgi N. Vayssilov, and Notker Rösch: Theoretical investigation of Zn-containing species in pores of ZSM-5 zeolites. In: Studies of Surface Science and Catalysis, 2005, 593-600 |
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| 2004 | N. Rösch, V.A. Nasluzov, K.M. Neyman, G. Pacchioni and G.N. Vayssilov: Supported metal species and adsorption complexes on metal oxides and in zeolites: Density functional cluster model studies. In: J. Leszczynski, Computational Material Sciences 15. Elsevier, 2004. 367 -450 |
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| 2004 | K. M. Neyman, G. N. Vayssilov, N. Rösch: Transition Metal Clusters and Supported Species with Metal-Carbon Bonds from First-Principles Quantum Chemistry. In: Journal of Organometallic Chemistry, 2004, 4384-4394 |
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