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Zeolite‐Stabilized Di‐ and Tetranuclear Molybdenum Sulfide Clusters Form Stable Catalytic Hydrogenation Sites.
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- Angewandte Chemie, 2021, v. 133, n. 17, p. 9387, doi. 10.1002/ange.202015769
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Strain‐Promoted Reactivity of Alkyne‐Containing Cycloparaphenylenes.
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- Angewandte Chemie, 2018, v. 130, n. 50, p. 16586, doi. 10.1002/ange.201808611
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Multiphotonenabsorption in Metall-organischen Gerüstverbindungen.
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- Angewandte Chemie, 2017, v. 129, n. 46, p. 14938, doi. 10.1002/ange.201706492
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Berichtigung: Chemische Aktivität von dünnen Oxidschichten: Starke Träger- Wechselwirkungen ergeben eine neue ZnO-Dünnfilmphase.
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- Angewandte Chemie, 2017, v. 129, n. 41, p. 12571, doi. 10.1002/ange.201708864
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Berichtigung: Formation Mechanism of the First Carbon-Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons.
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- Angewandte Chemie, 2017, v. 129, n. 26, p. 7448, doi. 10.1002/ange.201704600
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Formation Mechanism of the First Carbon-Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons.
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- Angewandte Chemie, 2016, v. 128, n. 19, p. 5817, doi. 10.1002/ange.201511678
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Analyzing the Case for Bifunctional Catalysis.
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- Angewandte Chemie, 2016, v. 128, n. 17, p. 5296, doi. 10.1002/ange.201601049
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Adsorption, Single‐Molecule Manipulation, and Self‐Assembly of Borazine on Ag(111).
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- Advanced Materials Interfaces, 2024, v. 11, n. 4, p. 1, doi. 10.1002/admi.202300774
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- Article
Green synthesis of propylene oxide directly from propane.
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- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-34967-2
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Strain‐Promoted Reactivity of Alkyne‐Containing Cycloparaphenylenes.
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- Angewandte Chemie International Edition, 2018, v. 57, n. 50, p. 16348, doi. 10.1002/anie.201808611
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- Publication type:
- Article
Multi-Photon Absorption in Metal-Organic Frameworks.
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- Angewandte Chemie International Edition, 2017, v. 56, n. 46, p. 14743, doi. 10.1002/anie.201706492
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- Article
Corrigendum: Chemical Activity of Thin Oxide Layers: Strong Interactions with the Support Yield a New Thin-Film Phase of ZnO.
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- Angewandte Chemie International Edition, 2017, v. 56, n. 41, p. 12399, doi. 10.1002/anie.201708864
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- Publication type:
- Article
Corrigendum: Formation Mechanism of the First Carbon-Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons.
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- Angewandte Chemie International Edition, 2017, v. 56, n. 26, p. 7342, doi. 10.1002/anie.201704600
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- Publication type:
- Article
Formation Mechanism of the First Carbon-Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons.
- Published in:
- Angewandte Chemie International Edition, 2016, v. 55, n. 19, p. 5723, doi. 10.1002/anie.201511678
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- Publication type:
- Article
Analyzing the Case for Bifunctional Catalysis.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 17, p. 5210, doi. 10.1002/anie.201601049
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- Publication type:
- Article
Scorpionate-Type Coordination in MFU-4 l Metal-Organic Frameworks: Small-Molecule Binding and Activation upon the Thermally Activated Formation of Open Metal Sites.
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- Angewandte Chemie International Edition, 2014, v. 53, n. 23, p. 5832, doi. 10.1002/anie.201310004
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- Article
Modeling Heat Dissipation at the Nanoscale: An Embedding Approach for Chemical Reaction Dynamics on Metal Surfaces.
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- Angewandte Chemie International Edition, 2014, v. 53, n. 18, p. 4721, doi. 10.1002/anie.201400066
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- Article
Chemical Activity of Thin Oxide Layers: Strong Interactions with the Support Yield a New Thin-Film Phase of ZnO.
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- Angewandte Chemie International Edition, 2013, v. 52, n. 45, p. 11925, doi. 10.1002/anie.201302315
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- Article
Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy.
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- Angewandte Chemie International Edition, 2013, v. 52, n. 42, p. 11007, doi. 10.1002/anie.201305027
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- Article
Atomic structures and orbital energies of 61,489 crystal-forming organic molecules.
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- Scientific Data, 2020, v. 7, n. 1, p. 1, doi. 10.1038/s41597-020-0385-y
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- Article
CO Oxidation on Pd(100) Versus PdO(101)- (√5 × √5})R27° : First-Principles Kinetic Phase Diagrams and Bistability Conditions.
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- Topics in Catalysis, 2014, v. 57, n. 1-4, p. 159, doi. 10.1007/s11244-013-0172-5
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- Article
Active discovery of organic semiconductors.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-22611-4
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- Article
Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations.
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- ChemCatChem, 2022, v. 14, n. 19, p. 1, doi. 10.1002/cctc.202200300
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- Article
First‐Principles Computational Screening of Dopants to Improve the Deacon Process over RuO<sub>2</sub>.
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- ChemCatChem, 2018, v. 10, n. 2, p. 465, doi. 10.1002/cctc.201701313
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- Article
Future Challenges in Heterogeneous Catalysis: Understanding Catalysts under Dynamic Reaction Conditions.
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- ChemCatChem, 2017, v. 9, n. 1, p. 17, doi. 10.1002/cctc.201600996
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- Article
Knowledge discovery through chemical space networks: the case of organic electronics.
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- Journal of Molecular Modeling, 2019, v. 25, n. 4, p. N.PAG, doi. 10.1007/s00894-019-3950-6
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- Article
Scorpionate-Type Coordination in MFU-4 l Metal-Organic Frameworks: Small-Molecule Binding and Activation upon the Thermally Activated Formation of Open Metal Sites.
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- Angewandte Chemie, 2014, v. 126, n. 23, p. 5942, doi. 10.1002/ange.201310004
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- Article
Modellierung von Wärmedissipation auf der Nanoskala: ein Einbettungsansatz für chemische Reaktionen auf Metalloberflächen.
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- Angewandte Chemie, 2014, v. 126, n. 18, p. 4813, doi. 10.1002/ange.201400066
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- Publication type:
- Article
Chemische Aktivität von dünnen Oxidschichten: Starke Träger- Wechselwirkungen ergeben eine neue ZnO-Dünnfilmphase.
- Published in:
- Angewandte Chemie, 2013, v. 125, n. 45, p. 12143, doi. 10.1002/ange.201302315
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- Publication type:
- Article
Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy.
- Published in:
- Angewandte Chemie, 2013, v. 125, n. 42, p. 11213, doi. 10.1002/ange.201305027
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- Publication type:
- Article
Bistability Loss as a Key Feature in Azobenzene (Non-)Switching on Metal Surfaces.
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- Angewandte Chemie, 2012, v. 124, n. 48, p. 12175, doi. 10.1002/ange.201205718
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- Article
Semiempirical Rate Constants for Complex Chemical Kinetics: First-Principles Assessment and Rational Refinement.
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- Angewandte Chemie, 2011, v. 123, n. 5, p. 1226, doi. 10.1002/ange.201006488
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- Article
Azobenzene-functionalized alkanethiols in self-assembled monolayers on gold.
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- Applied Physics A: Materials Science & Processing, 2008, v. 93, n. 2, p. 267, doi. 10.1007/s00339-008-4829-z
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Ready, Set and no Action: A Static Perspective on Potential Energy Surfaces commonly used in Gas-Surface Dynamics.
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- Zeitschrift für Physikalische Chemie, 2013, v. 227, n. 11, p. 1523, doi. 10.1524/zpch.2013.0410
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- Article
Ruthenium Oxide Nanosheets for Enhanced Oxygen Evolution Catalysis in Acidic Medium.
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- Advanced Energy Materials, 2019, v. 9, n. 15, p. N.PAG, doi. 10.1002/aenm.201803795
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- Article
Oxygen Evolution Catalysis: Ruthenium Oxide Nanosheets for Enhanced Oxygen Evolution Catalysis in Acidic Medium (Adv. Energy Mater. 15/2019).
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- Advanced Energy Materials, 2019, v. 9, n. 15, p. N.PAG, doi. 10.1002/aenm.201970048
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- Article
Graphene at Liquid Copper Catalysts: Atomic‐Scale Agreement of Experimental and First‐Principles Adsorption Height.
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- Advanced Science, 2022, v. 9, n. 36, p. 1, doi. 10.1002/advs.202204684
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- Article
Ab Initio Thermodynamics and First-Principles Microkinetics for Surface Catalysis.
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- Catalysis Letters, 2016, v. 146, n. 3, p. 541, doi. 10.1007/s10562-015-1684-3
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- Article
First-Principles Approach to Heat and Mass Transfer Effects in Model Catalyst Studies.
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- Catalysis Letters, 2009, v. 133, n. 1/2, p. 156, doi. 10.1007/s10562-009-0168-8
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- Article
All‐Solid‐State Batteries: Nano‐Scale Complexions Facilitate Li Dendrite‐Free Operation in LATP Solid‐State Electrolyte (Adv. Energy Mater. 26/2021).
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- Advanced Energy Materials, 2021, v. 11, n. 26, p. 1, doi. 10.1002/aenm.202170098
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- Article
Nano‐Scale Complexions Facilitate Li Dendrite‐Free Operation in LATP Solid‐State Electrolyte.
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- Advanced Energy Materials, 2021, v. 11, n. 26, p. 1, doi. 10.1002/aenm.202100707
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- Article
Exploring Pretreatment-Morphology Relationships: Ab Initio Wulff Construction for RuO<sub>2</sub> Nanoparticles under Oxidising Conditions.
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- ChemCatChem, 2013, v. 5, n. 11, p. 3398, doi. 10.1002/cctc.201300168
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- Article
The Role of Surface Oxides in NO<sub>x</sub> Storage Reduction Catalysts.
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- ChemCatChem, 2010, v. 2, n. 6, p. 658, doi. 10.1002/cctc.201000006
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- Article
Zeolite‐Stabilized Di‐ and Tetranuclear Molybdenum Sulfide Clusters Form Stable Catalytic Hydrogenation Sites.
- Published in:
- Angewandte Chemie International Edition, 2021, v. 60, n. 17, p. 9301, doi. 10.1002/anie.202015769
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- Publication type:
- Article
Surface Coordination Chemistry: Dihydrogen versus Hydride Complexes on RuO<sub>2</sub>(110) ( We gratefully acknowledge the help of A. Lafosse and Y. Wang in some experiments. Q.S. is thankful for an Alexander von Humboldt fellowship. ).
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- Angewandte Chemie, 2003, v. 115, n. 19, p. 2201, doi. 10.1002/ange.200250659
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- Article
Machine-learning driven global optimization of surface adsorbate geometries.
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- NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01065-w
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- Article
Metal-Organic Frameworks: A New Class of Lasing Materials: Intrinsic Stimulated Emission from Nonlinear Optically Active Metal-Organic Frameworks (Adv. Mater. 17/2017).
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- Advanced Materials, 2017, v. 29, n. 17, p. n/a, doi. 10.1002/adma.201770112
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- Article
A New Class of Lasing Materials: Intrinsic Stimulated Emission from Nonlinear Optically Active Metal-Organic Frameworks.
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- Advanced Materials, 2017, v. 29, n. 17, p. n/a, doi. 10.1002/adma.201605637
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- Article
Size‐Extensive Molecular Machine Learning with Global Representations.
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- ChemSystemsChem, 2020, v. 2, n. 4, p. 1, doi. 10.1002/syst.201900052
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- Article
Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells (Adv. Mater. Interfaces 18/2021).
- Published in:
- Advanced Materials Interfaces, 2021, v. 8, n. 18, p. 1, doi. 10.1002/admi.202170098
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- Article