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Toward ab Initio Ground States of Gold Clusters via Neural Network Modeling | The Journal of Physical Chemistry C
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Catalytic CO Oxidation by a Gold Nanoparticle: A Density Functional Study | Journal of the American Chemical Society
van der Waals Interactions Determine Selectivity in Catalysis by Metallic Gold | Journal of the American Chemical Society
Ring-Opening Copolymerization of α-Hydroxy-γ-butyrolactone and ε-Caprolactone. Toward the Metal-Free Synthesis of Functional Polyesters | ACS Applied Polymer Materials
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ESO Staff Share 2015 Breakthrough Prize | ESO Suomi
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A Preparative Mass Spectrometer to Deposit Intact Large Native Protein Complexes | ACS Nano
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Conformation Generation: The State of the Art | Journal of Chemical Information and Modeling
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Structural Properties of Metal–Organic Frameworks at Elevated Thermal Conditions via a Combined Density Functional Tight Binding Molecular Dynamics (DFTB MD) Approach | The Journal of Physical Chemistry C
Rapid Access to Ground- and Excited-State Properties of Gold Nanoclusters Coated with Organic Ligands: Evaluation of the DFTB Method Performance | The Journal of Physical Chemistry C
Performance of Density-Functional Tight-Binding in Comparison to Ab Initio and First-Principles Methods for Isomer Geometries and Energies of Glucose Epimers in Vacuo and Solution | ACS Omega
Determination of Proton Affinities and Acidity Constants of Sugars | The Journal of Physical Chemistry A
Thiolate-Capped Silver Nanoparticles: Discerning Direct Grafting from Sulfidation at the Metal–Ligand Interface by Interrogating the Sulfur Atom | The Journal of Physical Chemistry C
Introducing New AI Experiences Across Our Family of Apps and Devices | Meta
