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	1.	Modeling adsorption of the uranyl dication on the hydroxylated alpha-Al2O3(0001) surface in an aqueous medium. Density functional study. [electronic resource] by Moskaleva, Lyudmila V Nasluzov, Vladimir A Rösch, Notker Producer: 20070516 In: Langmuir : the ACS journal of surfaces and colloids vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Single d-metal atoms on F(s) and F(s+) defects of MgO(001): a theoretical study across the periodic table. [electronic resource] by Neyman, Konstantin M Inntam, Chan Matveev, Alexei V Nasluzov, Vladimir A Rösch, Notker Producer: 20051102 In: Journal of the American Chemical Society vol. 127 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Effects of the Aluminum Content of a Zeolite Framework: A DFT/MM Hybrid Approach Based on Cluster Models Embedded in an Elastic Polarizable Environment. [electronic resource] by Ivanova Shor, Elena A Shor, Alexei M Nasluzov, Vladimir A Vayssilov, Georgi N Rösch, Notker Producer: 20151209 In: Journal of chemical theory and computation vol. 1 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	First Hybrid Embedding Scheme for Polar Covalent Materials Using an Extended Border Region To Minimize Boundary Effects on the Quantum Region. [electronic resource] by Shor, Alexei M Shor, Elena A Ivanova Nasluzov, Vladimir A Vayssilov, Georgi N Rösch, Notker Producer: 20151207 In: Journal of chemical theory and computation vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Study of the Electronic Structure of Ni(eta(5)-C(5)H(5))(NO) by Variable-Photon-Energy Photoelectron Spectroscopy and Density Functional Calculations. [electronic resource] by Field, Christian N Green, Jennifer C Mayer, Markus Nasluzov, Vladimir A Rösch, Notker Siggel, Michele R. F Publication details: Inorganic chemistry Apr 1996 In: Inorganic chemistry vol. 35 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Comparison of all sites for Ti substitution in zeolite TS-1 by an accurate embedded-cluster method. [electronic resource] by Deka, Ramesh Ch Nasluzov, Vladimir A Ivanova Shor, Elena A Shor, Alexei M Vayssilov, Georgi N Rösch, Notker Producer: 20060808 In: The journal of physical chemistry. B vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Reverse hydrogen spillover on and hydrogenation of supported metal clusters: insights from computational model studies. [electronic resource] by Vayssilov, Georgi N Petrova, Galina P Shor, Elena A Ivanova Nasluzov, Vladimir A Shor, Alexei M St Petkov, Petko Rösch, Notker Producer: 20120724 In: Physical chemistry chemical physics : PCCP vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Density-functional model cluster studies of EPR g tensors of Fs+ centers on the surface of MgO. [electronic resource] by Di Valentin, Cristiana Neyman, Konstantin M Risse, Thomas Sterrer, Martin Fischbach, Esther Freund, Hans-Joachim Nasluzov, Vladimir A Pacchioni, Gianfranco Rösch, Notker Producer: 20070810 In: The Journal of chemical physics vol. 124 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)