دنبال کردن
Joachim Sauer
Joachim Sauer
Professor of Chemistry, Humboldt-University, Berlin
ایمیل تأیید شده در chemie.hu-berlin.de - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
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
13972007
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
10422013
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
9621989
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
8121994
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
7212007
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
6072009
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
4451992
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
4311998
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
4231994
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
3952021
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
3431994
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
3402009
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
3392008
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
3142004
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
3061995
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
3022000
Aluminum Siting in Silicon‐Rich Zeolite Frameworks: A Combined High‐Resolution 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
2932007
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
2862006
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
2771995
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
2732009
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20