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1965, 2. Aufl. Hrsg. von Wilhelm Studt. --, 215
Book
Catalysis Letters, ISSN 1011-372X, 1/2013, Volume 143, Issue 1, pp. 58 - 60
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 1/2011, Volume 108, Issue 3, pp. 937 - 943
Journal Article
Catalysis Letters, ISSN 1011-372X, 10/2012, Volume 143, Issue 1
Journal Article
Nature Chemistry, ISSN 1755-4330, 2014, Volume 6, Issue 4, pp. 320 - 324
The use of methanol as a fuel and chemical feedstock could become very important in the development of a more sustainable society if methanol could be... 
HYDROGENATION | MANAGEMENT | ACTIVE-SITE | CO2 | ELECTROCHEMICAL REDUCTION | DENSITY-FUNCTIONAL THEORY | CU/ZNO CATALYSTS | CHEMISTRY, MULTIDISCIPLINARY | CHALLENGES | SURFACE-CHEMISTRY | INSIGHTS
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 03/2016, Volume 2016, Issue 10
Cu-exchanged zeolites are promising heterogeneous catalysts, as they provide a confined environment to carry out highly selective reactions. Furthermore, the... 
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY | zeolites | heterogeneous catalysis | Density Functional Theory calculations | oxido ligands | MATERIALS SCIENCE | coppe
Journal Article
Journal of Catalysis, ISSN 0021-9517, 08/2015, Volume 328, Issue C, pp. 36 - 42
Journal Article
Science, ISSN 0036-8075, 2014, Volume 345, Issue 6193, pp. 197 - 200
introduce a general method for estimating the uncertainty in calculated materials properties based on density functional theory calculations. We illustrate the... 
SINGLE-CRYSTAL | DESIGN | IDENTIFICATION | 1ST-PRINCIPLES CALCULATIONS | MULTIDISCIPLINARY SCIENCES | STEPS | Ammonia | Research | Chemical properties | Metal catalysts | Chemical research | Catalytic reforming | Chemical synthesis | Density | Uncertainty | Synthesis | Catalysts | Mathematical analysis | Surface chemistry | Catalysis
Journal Article
Journal of Catalysis, ISSN 0021-9517, 08/2015, Volume 328, Issue C, pp. 43 - 48
H/D exchange experiments on a Cu/ZnO/Al O catalyst have shown that methanol synthesis and RWGS display a strong thermodynamic isotope effect, which is... 
DFT | H/D substitution | Reverse water gas shift | Kinetics | Copper | Mechanism | CO2 hydrogenation | Methanol | SYNTHESIS CATALYSTS | ACTIVE-SITE | CHEMISTRY, PHYSICAL | ENGINEERING, CHEMICAL | AMMONIA-SYNTHESIS | GAS SHIFT REACTION | STRUCTURAL-CHANGES | FISCHER-TROPSCH SYNTHESIS | STRUCTURE SENSITIVITY | CARBON-DIOXIDE | WATER | Catalysis | Catalysts | Chemical synthesis | Hydrogenation
Journal Article
SCIENCE, ISSN 0036-8075, 05/2012, Volume 336, Issue 6083, pp. 893 - 897
One of the main stumbling blocks in developing rational design strategies for heterogeneous catalysis is that the complexity of the catalysts impairs efforts... 
HYDROGENATION | STRUCTURAL-CHANGES | KINETICS | MULTIDISCIPLINARY SCIENCES | ZINC-OXIDE | CO2 | SURFACE | ZNO | COPPER | Industrial production | Catalysts | Chemical synthesis | Methanol | Synthesis | Methyl alcohol | Imaging | Zinc oxide | Catalysis | Copper | Aluminum oxide | Nanoparticles | INDUSTRIAL APPLICATIONS | Stacking faults | PARTICLES | ZINC OXIDE | DUSTS | ALUMINUM OXIDE | CATALYSTS
Journal Article
Catalysis Letters, ISSN 1011-372X, 4/2018, Volume 148, Issue 4, pp. 1246 - 1253
Journal Article
ISSN 2044-4753, 8/2018, Volume 8, Issue 17, pp. 442 - 4429
The olefin cycle of the methanol-to-olefins process is investigated for the zeolite H-SSZ-13 using periodic, van-der-Waals corrected DFT calculations, together... 
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 04/2016, Volume 2016, Issue 10, pp. 1514 - 1520
Cu‐exchanged zeolites are promising heterogeneous catalysts, as they provide a confined environment to carry out highly selective reactions. However, the... 
Heterogeneous catalysis | Density functional calculations | Oxido ligands | Copper | Zeolites | SELECTIVE OXIDATION | COMPLEX | BIS(MU-OXO)DICOPPER | CU-ZSM-5 | CONVERSION | ACTIVE-SITES | DECOMPOSITION | MODEL | CHEMISTRY, INORGANIC & NUCLEAR | METHANE | ELECTRONIC-STRUCTURE | Adsorption
Journal Article