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chemistry, physical (14) 14
clusters (14) 14
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ACS Nano, ISSN 1936-0851, 02/2013, Volume 7, Issue 2, pp. 1763 - 1768
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2018, Volume 57, Issue 29, pp. 8906 - 8910
Samples of the zeolite mordenite with different Si/Al ratios were used to synthesize materials with monomeric and oligomeric copper sites that are active in... 
methane | methanol | heterogeneous catalysis | copper zeolites | mordenite | OXIDATION | RATIOS | CU-ZSM-5 | ZSM-5 | IONS | ADSORPTION | LOW-TEMPERATURE | CHEMISTRY, MULTIDISCIPLINARY | CLUSTERS | CU-CHA | ZEOLITES | Methane | Heterogeneous catalysis | Copper | Zeolites | Analysis | Methanol | Aluminum | Anaerobic conditions | Activation | Zeolite | Copper converters | Methyl alcohol | Silicon | Oxidation | Direct conversion
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2017, Volume 19, Issue 45, pp. 30513 - 30519
Ostwald ripening is a leading cause of the degradation of platinum group catalysts at high temperature in an oxidizing atmosphere. Recent experiments suggested... 
TRANSMISSION ELECTRON-MICROSCOPY | SUPPORT | NANOPARTICLES | DFT | INTERFACE | CLUSTERS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SURFACE | CHEMISTRY, PHYSICAL | CERIA CATALYSTS | CEO2 | CO OXIDATION | Nanoparticles | Trapping | Ostwald ripening | Catalysts | Platinum | Density functional theory | Oxidation | Catalysis | Atomic structure | Cerium oxides | Aluminum oxide
Journal Article
ACS Nano, ISSN 1936-0851, 02/2013, Volume 7, Issue 2, pp. 1763 - 1768-1763-1768
Density-functional theory based global geometry optimization is used to scrutinize the possibility of using endohedrally doped hydrogenated Si clusters as... 
Networks | Aggregates | Dehydrogenation | Clusters | Tools | Nanostructure | Cages | Agglomeration | Monomers
Journal Article
SCIENCE, ISSN 0036-8075, 10/2017, Volume 358, Issue 6360
Periana argues that the stepwise reaction of methane with water is thermodynamically unfavorable and therefore impractical. We reply by presenting an in-depth... 
CYCLOHEXANE | ZEOLITES | DEHYDROGENATION | ADSORPTION | MULTIDISCIPLINARY SCIENCES | Methane | Thermodynamics | Oxidation-Reduction | Methanol | Water chemistry | Oxidation | Chemical synthesis | Feasibility studies | Index Medicus
Journal Article
07/2016
Phys. Chem. Chem. Phys. 18, 22311-22322 (2016) Global geometry optimization and time-dependent density functional theory calculations have been used to study... 
Physics - Materials Science
Journal Article
Science, ISSN 0036-8075, 02/2018, Volume 359, Issue 6377, p. eaar6868
Journal Article
ISSN 1463-9076, 10/2015, Volume 17, Issue 42, pp. 281 - 2821
Density functional theory based global geometry optimization has been used to demonstrate the crucial influence of the geometry of the catalytic cluster on the... 
Journal Article
ACS Catalysis, ISSN 2155-5435, 08/2015, Volume 5, Issue 8, pp. 4833 - 4836
Fourier transform infrared spectroscopy and density functional theory calculations have been used to elucidate the nature of active sites of ZrBEA zeolite... 
zeolite | DFT | open sites | Zr-beta | FTIR | ZIRCONIA | CONVERSION | SUSTAINABILITY ASSESSMENT | 1,3-BUTADIENE | CHEMISTRY, PHYSICAL | CATALYST | BETA
Journal Article
ACS NANO, ISSN 1936-0851, 02/2013, Volume 7, Issue 2, pp. 1763 - 1768
Density-functional theory based global geometry optimization is used to scrutinize the possibility of using endohedrally doped hydrogenated Si clusters as... 
magnetic building blocks | cluster compounds | CLUSTERS | material assembly | STABILITY | MATERIALS SCIENCE, MULTIDISCIPLINARY | doped silicon clusters | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
ISSN 1463-9076, 11/2017, Volume 19, Issue 45, pp. 3513 - 3519
Ostwald ripening is a leading cause of the degradation of platinum group catalysts at high temperature in an oxidizing atmosphere. Recent experiments suggested... 
Journal Article
02/2015
Phys. Chem. Chem. Phys. 17, 28010-28021 (2015) Density functional theory based global geometry optimization has been used to demonstrate the crucial influence... 
Physics - Materials Science
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 07/2012, Volume 86, Issue 4
Density-functional theory based global geometry optimization is used to scrutinize the possibility of endohedral doping of hydrogenated Si fullerenes as a... 
CLUSTERS | PHYSICS, CONDENSED MATTER | Cage | Condensed matter | Doping | Fullerenes | Chromium | Dopants | Silicon | Nanostructure | Physics - Materials Science
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2011, Volume 134, Issue 24
Journal Article
Science, ISSN 0036-8075, 10/2017, Volume 358, Issue 6360, p. eaan6083
Journal Article
Nanoscale, ISSN 2040-3364, 01/2017, Volume 9, Issue 3, pp. 1144 - 1153
Copper-containing zeolites exhibit high activity in the direct partial oxidation of methane into methanol at relatively low temperatures. Di-and tricopper... 
SELECTIVE OXIDATION | ACTIVATION | PHYSICS, APPLIED | CU-ZSM-5 | MATERIALS SCIENCE, MULTIDISCIPLINARY | ZSM-5 | NANOSCIENCE & NANOTECHNOLOGY | MONOOXYGENASE | LOW-TEMPERATURE | CHEMISTRY, MULTIDISCIPLINARY | OXYGEN | CU-SSZ-13 | MORDENITE | GAS | Methane | Stability | Catalysts | Methyl alcohol | Clusters | Copper oxides | Zeolites | Tuning
Journal Article
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