Articles with public access mandates - Joachim SauerLearn more
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Oxygen defects and surface chemistry of ceria: quantum chemical studies compared to experiment
J Paier, C Penschke, J Sauer
Chemical reviews 113 (6), 3949-3985, 2013
Mandates: German Research Foundation
Density-Functional Calculations of the Structure of Near-Surface Oxygen Vacancies <?format ?>and Electron Localization on
MV Ganduglia-Pirovano, JLF Da Silva, J Sauer
Physical review letters 102 (2), 026101, 2009
Mandates: German Research Foundation
Application of semiempirical long‐range dispersion corrections to periodic systems in density functional theory
T Kerber, M Sierka, J Sauer
Journal of computational chemistry 29 (13), 2088-2097, 2008
Mandates: German Research Foundation
Treating dispersion effects in extended systems by hybrid MP2: DFT calculations—protonation of isobutene in zeolite ferrierite
C Tuma, J Sauer
Physical Chemistry Chemical Physics 8 (34), 3955-3965, 2006
Mandates: German Research Foundation
Ab initio study of hydrogen adsorption in MOF-5
K Sillar, A Hofmann, J Sauer
Journal of the American Chemical Society 131 (11), 4143-4150, 2009
Mandates: German Research Foundation
Activation of Methane by Oligomeric (Al2O3) x+ (x= 3, 4, 5): The Role of Oxygen‐Centered Radicals in Thermal Hydrogen‐Atom Abstraction
S Feyel, J Döbler, R Höckendorf, MK Beyer, J Sauer, H Schwarz
Angewandte Chemie International Edition 47 (10), 1946-1950, 2008
Mandates: German Research Foundation
Size-dependent catalytic activity of supported vanadium oxide species: oxidative dehydrogenation of propane
X Rozanska, R Fortrie, J Sauer
Journal of the American Chemical Society 136 (21), 7751-7761, 2014
Mandates: German Research Foundation
Accurate quantum chemical energies for the interaction of hydrocarbons with oxide surfaces: CH 4/MgO (001)
S Tosoni, J Sauer
Physical Chemistry Chemical Physics 12 (42), 14330-14340, 2010
Mandates: German Research Foundation
O2 Activation on Ceria Catalysts—The Importance of Substrate Crystallographic Orientation
C Yang, X Yu, S Heißler, PG Weidler, A Nefedov, Y Wang, C Wöll, ...
Angewandte Chemie International Edition 56 (51), 16399-16404, 2017
Mandates: Helmholtz Association, European Commission
Point defects in CaF2 and CeO2 investigated by the periodic electrostatic embedded cluster method
AM Burow, M Sierka, J Döbler, J Sauer
The Journal of chemical physics 130 (17), 2009
Mandates: German Research Foundation
Oxidative dehydrogenation of propane: Differences between N2O and O2 in the reoxidation of reduced vanadia sites and consequences for selectivity
X Rozanska, EV Kondratenko, J Sauer
Journal of Catalysis 256 (1), 84-94, 2008
Mandates: German Research Foundation
Ab initio prediction of adsorption isotherms for small molecules in metal–organic frameworks: the effect of lateral interactions for methane/CPO-27-Mg
K Sillar, J Sauer
Journal of the American Chemical Society 134 (44), 18354-18365, 2012
Mandates: German Research Foundation
The tert‐Butyl Cation in H‐Zeolites: Deprotonation to Isobutene and Conversion into Surface Alkoxides
C Tuma, T Kerber, J Sauer
Angewandte Chemie International Edition 49 (27), 4678-4680, 2010
Mandates: German Research Foundation
Adsorption, activation, and dissociation of oxygen on doped oxides.
Y Cui, X Shao, M Baldofski, J Sauer, N Nilius, HJ Freund
Angewandte Chemie International Edition 52 (43), 2013
Mandates: German Research Foundation
Diffraction of fast atoms during grazing scattering from the surface of an ultrathin silica film on Mo (112)
J Seifert, A Schüller, H Winter, R Włodarczyk, J Sauer, M Sierka
Physical Review B—Condensed Matter and Materials Physics 82 (3), 035436, 2010
Mandates: German Research Foundation
Accurate adsorption energies of small molecules on oxide surfaces: CO–MgO (001)
AD Boese, J Sauer
Physical chemistry chemical physics 15 (39), 16481-16493, 2013
Mandates: German Research Foundation
Oligomeric Vanadium Oxide Species Supported on the CeO2(111) Surface: Structure and Reactivity Studied by Density Functional Theory
C Penschke, J Paier, J Sauer
The Journal of Physical Chemistry C 117 (10), 5274-5285, 2013
Mandates: German Research Foundation
Water interaction with iron oxides
P Dementyev, KH Dostert, F Ivars‐Barceló, CP O'Brien, F Mirabella, ...
Angewandte Chemie 127 (47), 14148-14152, 2015
Mandates: German Research Foundation
Oxidative conversion of C1–C3 alkanes by vanadium oxide catalysts. DFT results and their accuracy
X Rozanska, J Sauer
International Journal of Quantum Chemistry 108 (12), 2223-2229, 2008
Mandates: German Research Foundation
Formaldehyde formation on vanadium oxide surfaces V2O3 (0001) and V2O5 (001): how does the stable methoxy intermediate form?
D Göbke, Y Romanyshyn, S Guimond, JM Sturm, H Kuhlenbeck, J Döbler, ...
Angewandte Chemie International Edition 48 (20), 3695-3698, 2009
Mandates: German Research Foundation
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