Joachim Sauer

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Marek SierkaOtto-Schott-Institut für Materialforschung, Friedrich-Schiller-Universität JenaVerifisert e-postadresse på uni-jena.de
Hans-Joachim FreundProfessor, Fritz-Haber-InstitutVerifisert e-postadresse på fhi-berlin.mpg.de
M. Veronica Ganduglia Pirovano (OR...Institute of Catalysis and Petrochemistry-CSIC (RoR: 004swtw80)Verifisert e-postadresse på icp.csic.es
Knut R. AsmisLeipzig UniversityVerifisert e-postadresse på uni-leipzig.de
Tanya K. TodorovaCollege de FranceVerifisert e-postadresse på college-de-france.fr
Gerard MeijerUniversity NijmegenVerifisert e-postadresse på fhi-berlin.mpg.de
Xavier RozanskaMaterials Design, SARLVerifisert e-postadresse på materialsdesign.com
Niklas NiliusPhysics department, Carl von Ossietzky University OldenburgVerifisert e-postadresse på uni-oldenburg.de
Kaido SillarResearch Fellow in Chemical Physics, University of TartuVerifisert e-postadresse på ut.ee
Petr NachtigallProfessor of Physical Chemistry, Charles UniversityVerifisert e-postadresse på natur.cuni.cz
Markus HeydeFritz-Haber-Institute of the Max-Planck-SocietyVerifisert e-postadresse på fhi-berlin.mpg.de
Laura GagliardiUniversity of ChicagoVerifisert e-postadresse på uchicago.edu
Martin BrändleUniversity of ZurichVerifisert e-postadresse på uzh.ch
Piero UgliengoProfessor of Physical Chemistry, University of TorinoVerifisert e-postadresse på unito.it
GiovanniMaria PicciniAssociate professor of theoretical chemistry at Università degli Studi di Modena e Reggio EmiliaVerifisert e-postadresse på unimore.it
Juarez L. F. Da SilvaUniversity of São Paulo (USP), São Carlos Institute of Chemistry (IQSC), São Carlos, SP, BrazilVerifisert e-postadresse på iqsc.usp.br
Johannes LercherTU München, Pacific Northwest National LaboratoryVerifisert e-postadresse på ch.tum.de
Martin SterrerProfessor of Physics, University of GrazVerifisert e-postadresse på uni-graz.at
Maristella AlessioDepartment of Chemistry, KU Leuven, 3001 Leuven, BelgiumVerifisert e-postadresse på kuleuven.be
Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum MechanicsVerifisert e-postadresse på univie.ac.at

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Joachim Sauer

Professor of Chemistry, Humboldt-University, Berlin

Verifisert e-postadresse på chemie.hu-berlin.de - Startside

quantum chemistry catalysis


Tittel Sorter etter sitater Sorter etter år Sorter etter tittel	Sitert av Sitert av	År
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	1397	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	1042	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	962	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	812	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	721	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	607	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	445	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	431	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	423	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	395	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	343	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	340	2009
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	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	306	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 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	293	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	286	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	277	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	273	2009

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