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Humboldt-Universität zu Berlin - Mathematisch-Naturwissen­schaft­liche Fakultät - Quantenchemie der Festkörper/ Katalyse

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M. Alessio, F. Bischoff, J. Sauer

Chemically Accurate Adsorption Energies for Methane and Ethane Monolayers on the MgO(001) Surface

icon pdfPhys. Chem. Chem. Phys. 20 (2018) 9760-9769

Abb.: 2017 Wiley-VCH Verlag GmbH&Co.KGaA, Weinheim

X. Song, M. R. Fagiani, S. Gewinner, W. Schöllkopf, K. R. Asmis, F. A. Bischoff, F. Berger, J. Sauer

Gas phase vibrational spectroscopy of (Al2O3)1-6AlO2-

 ChemPhysChem 18 (2017) 868–872

Coverpage Angewandte
Abb.: 2017 Wiley-VCH Verlag GmbH&Co.KGaA, Weinheim

K. S. Lokare, N. Frank, B. Braun, I. Goikoetxea, J. Sauer, C. Limberg

Quantum chemical prediction of proton exchange barriers between CH and different H-zeolites

 Angew. Chem. Int. Ed. 55 (2016) 12325-12329

C. Tuma and J. Sauer

Trapping Aluminium Hydroxide Clusters from Speciation in Aluminium(III)/Water Systems With the Aid of Trisilanols - Reproducible, Large Scale Access to Molecular Aluminate Models

 J. Chem. Phys. 143 (2015) 102810

I. Matanović, J. Belof, B. Space, K. Sillar, J. Sauer, J. Eckert, Z. Bačić
Hydrogen adsorbed in a metal organic framework-5: Coupled translation-rotation eigenstates from quantum five-dimensional calculations
icon pdf
 J. Chem. Phys. 137 (2012) 014701
K. Sillar, J. Sauer
Ab initio prediction of adsorption isotherms for small molecules in metal-organic frameworks (MOFs). The effect of lateral interactions for methane/CPO-27-Mg
icon pdf J. Am. Chem. Soc. 134 (2012) 18354−18365
B. Yang, Y. Pan, X. Lin, N. Nilius, H.-J. Freund, C. Hulot, A. Giraud, S. Blechert, S. Tosoni, J. Sauer
Stabilizing gold adatoms by thiophenyl derivates: A possible route towards metal redispersion
icon pdf J. Am. Chem. Soc. 134 (2012) 11161-11167

C. Tuma, J. Sauer
Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations - Protonation of Isobutene in Zeolite Ferrierite
icon pdf Phys. Chem. Chem. Phys. 8 (2006) 3955-3965

Reproduced by permission of the PCCP Owner Societies