| Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges MV Ganduglia-Pirovano, A Hofmann, J Sauer Surface science reports 62 (6), 219-270, 2007 | 1384 | 2007 |
| 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 | 1020 | 2013 |
| Molecular models in ab initio studies of solids and surfaces: from ionic crystals and semiconductors to catalysts J Sauer Chemical Reviews 89 (1), 199-255, 1989 | 960 | 1989 |
| Theoretical study of van der Waals complexes at surface sites in comparison with the experiment J Sauer, P Ugliengo, E Garrone, VR Saunders Chemical Reviews 94 (7), 2095-2160, 1994 | 810 | 1994 |
| Hybrid functionals applied to rare-earth oxides: The example of ceria JLF Da Silva, MV Ganduglia-Pirovano, J Sauer, V Bayer, G Kresse Physical Review B—Condensed Matter and Materials Physics 75 (4), 045121, 2007 | 714 | 2007 |
| 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 | 600 | 2009 |
| Bridging hydrodyl groups in zeolitic catalysts: a computer simulation of their structure, vibrational properties and acidity in protonated faujasites (H Y zeolites) KP Schröder, J Sauer, M Leslie, C Richard, A Catlow, JM Thomas Chemical physics letters 188 (3-4), 320-325, 1992 | 443 | 1992 |
| Acidity differences between inorganic solids induced by their framework structure. A combined quantum mechanics/molecular mechanics ab initio study on zeolites M Brändle, J Sauer Journal of the American Chemical Society 120 (7), 1556-1570, 1998 | 428 | 1998 |
| Molecular mechanics potential for silica and zeolite catalysts based on ab initio calculations. 1. Dense and microporous silica JR Hill, J Sauer The Journal of Physical Chemistry 98 (4), 1238-1244, 1994 | 417 | 1994 |
| Evolution of water structures in metal-organic frameworks for improved atmospheric water harvesting N Hanikel, X Pei, S Chheda, H Lyu, WS Jeong, J Sauer, L Gagliardi, ... Science 374 (6566), 454-459, 2021 | 357 | 2021 |
| 23Na NMR spectroscopy of solids: Interpretation of quadrupole interaction parameters and chemical shifts H Koller, G Engelhardt, APM Kentgens, J Sauer The Journal of Physical Chemistry 98 (6), 1544-1551, 1994 | 342 | 1994 |
| Quantum chemical modeling of zeolite-catalyzed methylation reactions: toward chemical accuracy for barriers S Svelle, C Tuma, X Rozanska, T Kerber, J Sauer Journal of the American Chemical Society 131 (2), 816-825, 2009 | 339 | 2009 |
| Application of semiempirical longrange dispersion corrections to periodic systems in density functional theory T Kerber, M Sierka, J Sauer Journal of computational chemistry 29 (13), 2088-2097, 2008 | 339 | 2008 |
| Vibrational spectra of alumina-and silica-supported vanadia revisited: An experimental and theoretical model catalyst study N Magg, B Immaraporn, JB Giorgi, T Schroeder, M Bäumer, J Döbler, ... Journal of Catalysis 226 (1), 88-100, 2004 | 314 | 2004 |
| Interaction of methanol with Broensted acid sites of zeolite catalysts: an ab initio study F Haase, J Sauer Journal of the American Chemical Society 117 (13), 3780-3789, 1995 | 305 | 1995 |
| Combining quantum mechanics and interatomic potential functions in ab initio studies of extended systems J Sauer, M Sierka Journal of Computational Chemistry 21 (16), 1470-1493, 2000 | 302 | 2000 |
| Aluminum Siting in SiliconRich Zeolite Frameworks: A Combined HighResolution 27Al NMR Spectroscopy and Quantum Mechanics / Molecular Mechanics … S Sklenak, J Dědeček, C Li, B Wichterlová, V Gábová, M Sierka, J Sauer Angewandte Chemie International Edition 46 (38), 7286-7289, 2007 | 287 | 2007 |
| 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 | 284 | 2006 |
| Molecular mechanics potential for silica and zeolite catalysts based on ab initio calculations. 2. Aluminosilicates JR Hill, J Sauer The Journal of Physical Chemistry 99 (23), 9536-9550, 1995 | 275 | 1995 |
| 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 | 270 | 2009 |
Marek SierkaOtto-Schott-Institut für Materialforschung, Friedrich-Schiller-Universität Jena在 uni-jena.de 的电子邮件经过验证
