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Journal of the American Chemical Society, ISSN 0002-7863, 03/2014, Volume 136, Issue 9, pp. 3522 - 3529
Understanding the formation mechanism of the [Cu2O]2+ active site in Cu–ZSM-5 is important for the design of efficient catalysts to selectively convert methane to methanol and related value-added chemicals and for N2O decomposition... 
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 11/2016, Volume 138, Issue 45, pp. 15046 - 15056
...) for oxygen reduction reaction (ORR) in energy conversion and storage devices. It has been widely suggested that an active site structure for Fe... 
FE/N/C-CATALYSTS | COORDINATION CHEMISTRY | HIGH-PERFORMANCE ELECTROCATALYSTS | METAL ELECTROCATALYST | NONPRECIOUS ELECTROCATALYSTS | HIGH-TEMPERATURE | COMPOSITE ELECTROCATALYST | ORGANIC FRAMEWORK | NITROGEN-DOPED CARBON | ALKALINE FUEL-CELLS | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
2015, 6th ed., ISBN 9781605352558, xxix, 761
Book
Nature communications, ISSN 2041-1723, 2015, Volume 6, Issue 1, p. 6511
Catalysis by gold supported on reducible oxides has been extensively studied, yet issues such as the nature of the catalytic site and the role of the reducible support remain fiercely debated topics... 
MOLECULAR-DYNAMICS | DFT | CLUSTERS | TEMPERATURE | INTERFACE | AU/CEO2 | MULTIDISCIPLINARY SCIENCES | CEO2 SURFACE | AU NANOPARTICLES | REACTION-MECHANISMS | CO OXIDATION
Journal Article
Science (American Association for the Advancement of Science), ISSN 1095-9203, 2017, Volume 355, Issue 6323, pp. 367 - 371
Journal Article
Industrial & engineering chemistry research, ISSN 0888-5885, 01/2019, Volume 58, Issue 2, pp. 685 - 694
.... According to data of scanning electron microscopy, the formation of separated particles active in carbon growth takes place by 18th minute of exposure with the reaction mixture... 
ENGINEERING, CHEMICAL | IRON-SUBGROUP METALS | HYDRODECHLORINATION | NICKEL | CHLORINATED HYDROCARBONS | ALLOYS | GAS | REACTIVITY | MORPHOLOGY | DEACTIVATION
Journal Article
Chemphyschem, ISSN 1439-4235, 03/2019, Volume 20, Issue 5, pp. 648 - 650
The high‐valence iron species (Fe(IV)=O) in the cytochrome P450 enzyme superfamily is generated via the activation of O2, and serves as the active center of selective hydrocarbon oxidation reactions... 
high-valence iron species | hydrogen peroxide oxidation | hematite electrode | water oxidation | hydrocarbon oxidation | MECHANISM | HYDROXYLATION | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DECOMPOSITION | CHEMISTRY, PHYSICAL | INSIGHT | EPOXIDATION | SURFACE-STATES | HEME | HYDROGEN-PEROXIDE | Hematite | Enzymes | Oxidation-reduction reaction | Hydrogen peroxide
Journal Article
Journal of materials chemistry. A, Materials for energy and sustainability, ISSN 2050-7488, 02/2014, Volume 2, Issue 8, pp. 2663 - 2670
...) and thermogravimetry coupled with mass-spectroscopy (TG-MS). It was found that the beneficial effect of sulfur could be attributed to the prevention of iron-carbide formation during the heat-treatment process... 
COTMPP | DENSITY | ENERGY & FUELS | POLYANILINE | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | SULFUR | PYROLYSIS | ELECTROCATALYSTS | ORR
Journal Article
Journal of materials chemistry. A, Materials for energy and sustainability, ISSN 2050-7488, 2014, Volume 2, Issue 8, pp. 2663 - 2670
...) and thermogravimetry coupled with mass-spectroscopy (TG-MS). It was found that the beneficial effect of sulfur could be attributed to the prevention of iron-carbide formation during the heat-treatment process... 
Journal Article
Organometallics, ISSN 0276-7333, 08/2018, Volume 37, Issue 15, pp. 2437 - 2441
The synthesis and reactivity of a dinickel bridging carbene is described. The previously reported [ i‑PrNDI]­Ni2(C6H6) complex (NDI = naphthyridine–diimine)... 
ACTIVATION | INSERTION | LIGANDS | PRODUCTS | PATHWAY | DINUCLEAR NICKEL-COMPLEXES | C BOND FORMATION | REACTIVITY | CHEMISTRY, ORGANIC | ELECTRONIC-STRUCTURE | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Journal of catalysis, ISSN 0021-9517, 08/2017, Volume 352, pp. 314 - 328
....•Silica defect sites can play a role in transformation of Cr(II) to Cr(III) species. The nature of the active sites and the mechanism of ethylene polymerization over the Phillips CrOx/SiO2 catalyst are still under debate... 
Ethylene polymerization | Defect site | DFT | Chromium oxide | Active site | Silica | Cluster model | Mechanism | Phillips catalyst | Surface | SUPPORTED CHROMIUM CATALYSTS | DENSITY-FUNCTIONAL METHODS | CHEMISTRY, PHYSICAL | PERIODIC DFT | DIFFUSE-REFLECTANCE SPECTROSCOPY | OXIDE CATALYSTS | ENGINEERING, CHEMICAL | MOLECULAR-LEVEL INSIGHT | AMORPHOUS SILICA | OXIDATION-STATES | IN-SITU | PROTON TRANSFERS
Journal Article