Energy-adjustedab initio pseudopotentials for the second and third row transition elements

• Tuning Au → M Interactions: d-Block Metalloligands Enhance Au-Catalyzed CO 2 Hydrosilylation

  2026 Inorganic Chemistry article Chemical Engineering Carbon dioxide utilization in catalysis

  1

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• Why Cd Outcompetes Zn at Sulfur: Transferable Orbital Rules from Hydration to Thiolate Binding

  2025 Inorganic Chemistry article Physics and Astronomy Advanced Chemical Physics Studies

  2

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• The use of effective core potentials in Hirshfeld atom refinement: making quantum crystallography faster in NoSpherA2

  2025 Journal of Applied Crystallography article Chemistry Crystal structures of chemical compounds Open access

  3

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• Intramolecularly O,N,O‐Coordinated Tin(II) Salts: Syntheses, Structures, Cyclization, and Transition Metal Complexation

  2024 Chemistry - A European Journal article Chemistry Organometallic Compounds Synthesis and Characterization Open access

  2

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• Combining low-cost electronic structure theory and low-cost parallel computing architecture

  2024 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  7

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• Post-Transition-State Dynamic Effects in the Transmetalation of Pd(II)-F to Pd(II)-CF3

  2023 JACS Au article Pharmacology, Toxicology and Pharmaceutics Fluorine in Organic Chemistry Open access

  8

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• Photochemical palladium-catalyzed methylation and alkylation reactions in cascade reactions of isonitriles

  2022 Tetrahedron article Chemistry Radical Photochemical Reactions

  19

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• Self-Assembled Liposomes Enhance Electron Transfer for Efficient Photocatalytic CO 2 Reduction

  2022 Journal of the American Chemical Society article Energy CO2 Reduction Techniques and Catalysts Open access

  82

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• Unveiling a key catalytic pocket for the ruthenium NHC-catalysed asymmetric heteroarene hydrogenation

  2021 Chemical Science article Chemistry Asymmetric Hydrogenation and Catalysis Open access

  20

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• How Cationic Metalloligands Affect the Coordination of Lewis Basic Ligands in RhIComplexes

  2021 Organometallics article Chemistry Organometallic Complex Synthesis and Catalysis

  9

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• Photoluminescence of Fully Inorganic Colloidal Gold Nanocluster and Their Manipulation Using Surface Charge Effects

  2021 Advanced Materials article Materials Science Nanocluster Synthesis and Applications Open access

  44

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• N,C,N-Coordinated Stannylenes as Ligands in Ag(I) and Au(I) Complexes

  2021 Organometallics article Chemistry Synthesis and characterization of novel inorganic/organometallic compounds

  9

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• A Proton-Responsive Annulated Mesoionic Carbene (MIC) Scaffold on Ir Complex for Proton/Hydride Shuttle: An Experimental and Computational Investigation on Reductive Amination of Aldehyde

  2020 Organometallics article Chemistry Asymmetric Hydrogenation and Catalysis

  22

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• Intramolecular crossover from unconventional diamagnetism to paramagnetism of palladium ions probed by soft X-ray magnetic circular dichroism

  2020 Communications Chemistry article Physics and Astronomy X-ray Spectroscopy and Fluorescence Analysis Open access

  6

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14 results