New method for preparation of delivery systems of poorly soluble drugs on the basis of functionalized mesoporous MCM-41 nanoparticles von Popova, M., Szegedi, A., Yoncheva, K., Konstantinov, S., Petrova, G.P., Aleksandrov, H.A., Vayssilov, G.N., Shestakova, P.

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Coordination state of Cu+ ions in Cu-[Al]MCM-41 von Chakarova, K., Petrova, G., Dimitrov, M., Dimitrov, L., Vayssilov, G., Tsoncheva, T., Hadjiivanov, K.

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Infrared spectra of surface nitrates: Revision of the current opinions based on the case study of ceria von Mihaylov, M.Y., Zdravkova, V.R., Ivanova, E.Z., Aleksandrov, H.A., Petkov, P.St, Vayssilov, G.N., Hadjiivanov, K.I.

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Structural and Physicochemical Features of Titanium Silicalites von Vayssilov, Georgi N.

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Bayesian approach to electron correlation in density functional theory von Tsekov, R., Vayssilov, G.N.

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Regio- and Stereoselective [2+2] Photodimerization of 3-Substituted 2-Alkoxy-2-oxo-2H-1,2-benzoxaphosphorines von Nikolova, Rositca D., Vayssilov, G. N., Rodios, Nestor, Bojilova, Anka

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Dramatic reduction of the oxygen vacancy formation energy in ceria particles: a possible key to their remarkable reactivity at the nanoscale von Migani, Annapaola, Vayssilov, Georgi N., Bromley, Stefan T., Illas, Francesc, Neyman, Konstantin M.

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Density Functional Studies of Alkali-Exchanged Zeolites: Basicity and Core-Level Shifts of Framework Oxygen Atoms von Vayssilov, Georgi N., Rösch, Notker

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Catalytic Activity of Titanium Silicalites—a DFT Study von Vayssilov, Georgi N., van Santen, Rutger A.

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Coordination state of Cu super(+) ions in Cu-[Al]MCM-41 von Chakarova, K, Petrova, G, Dimitrov, M, Dimitrov, L, Vayssilov, G, Tsoncheva, T, Hadjiivanov, K

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Reverse hydrogen spillover in supported subnanosize clusters of the metals of groups 8 to 11. A computational model study von VAYSSILOV, Georgi N, RÖSCH, Notker

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Oxidation of Supported Rhodium Clusters by Support Hydroxy Groups von Vayssilov, Georgi N., Gates, Bruce C., Rösch, Notker

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Bayesian approach to electron correlation in density functional theory von Tsekov, R, Vayssilov, G N

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Structure and catalytic transformations of lower hydrocarbons on single-crystal surfaces of transition metals von Vayssilov, G.N.

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Influence of the solid surface vibrations on the rate constants of surface reactions von Vayssilov, G.N.

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Comparison of All Sites for Ti Substitution in Zeolite TS-1 by an Accurate Embedded-Cluster Method von Deka, Ramesh Ch, Nasluzov, Vladimir A, Ivanova Shor, Elena A, Shor, Alexei M, Vayssilov, Georgi N, Rösch, Notker

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Theoretical models for description of the gas-solid surface vibrational interactions von Vayssilov, Georgi N.

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Elastic Polarizable Environment Cluster Embedding Approach for Covalent Oxides and Zeolites Based on a Density Functional Method von Nasluzov, Vladimir A, Ivanova, Elena A, Shor, Alexei M, Vayssilov, Georgi N, Birkenheuer, Uwe, Rösch, Notker

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Structure and Bonding of a Site-Isolated Transition Metal Complex:  Rhodium Dicarbonyl in Highly Dealuminated Zeolite Y von Goellner, Jesse F, Gates, Bruce C, Vayssilov, Georgi N, Rösch, Notker

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Free and Zeolite-Supported Hexarhodium Clusters with Light Impurity Atoms von Vayssilov, Georgi N, Rösch, Notker

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