Relativistic regular two-component Hamiltonians

• Fluxional Halogen Bonds Versus Interlayer Stacking – Theory Meets Experiment

  2025 Chemistry - A European Journal article Chemistry Crystallography and molecular interactions Open access

  0

  citations
• 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

  citations
• Transition metal coordination to degradation products in battery electrolytes revealed by NMR and EPR spectroscopy

  2025 Energy & Environmental Science article Engineering Advanced Battery Materials and Technologies Open access

  15

  citations
• Coordination of dissolved transition metals in pristine battery electrolyte solutions determined by NMR and EPR spectroscopy

  2024 Physical Chemistry Chemical Physics article Engineering Advanced battery technologies research Open access

  8

  citations
• Polycyclic Aromatic Hydrocarbons (PAHs) in Interstellar Ices: A Computational Study into How the Ice Matrix Influences the Ionic State of PAH Photoproducts

  2022 ACS Earth and Space Chemistry article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  17

  citations
• Exploring the Solvation Sphere and Spatial Accumulation of Dissolved Transition-Metal Ions in Batteries: A Case Study of Vanadyl Ions Released from V2O5Cathodes

  2021 ACS Applied Energy Materials article Engineering Advancements in Battery Materials Open access

  15

  citations
• d- and s-orbital populations in the d block: unbound atoms in physical vacuum versus chemical elements in condensed matter. A Dronskowski-population analysis

  2021 Zeitschrift für Naturforschung B article Physics and Astronomy Advanced Chemical Physics Studies

  2

  citations
• Identification of LiPF6 Decomposition Products in Li‐Ion Batteries with Endogenous Vanadyl Sensors Using Pulse Electron Paramagnetic Resonance and Density Functional Theory

  2021 Advanced Energy and Sustainability Research article Engineering Advancements in Battery Materials Open access

  11

  citations
• Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN‐xTB and density functional theory

  2021 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access

  21

  citations
• Understanding the Stabilization and Tunability of Divalent Europium 2.2.2B Cryptates

  2021 Inorganic Chemistry article Materials Science Lanthanide and Transition Metal Complexes

  35

  citations
• Coupled Anharmonic Thermochemistry from Stratified Monte-Carlo Integration

  2021 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

  1

  citations
• Coupled Anharmonic Thermochemistry from Stratified Monte-Carlo Integration

  2021 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

  1

  citations
• The Gauche Effect in XCH2CH2X Revisited

  2021 ChemPhysChem article Physics and Astronomy Advanced Chemical Physics Studies Open access

  39

  citations
• How Lewis Acids Catalyze Ring-Openings of Cyclohexene Oxide

  2021 The Journal of Organic Chemistry article Chemistry Chemical Reaction Mechanisms Open access

  52

  citations
• On the Origin of Regioselectivity in Palladium‐Catalyzed Oxidation of Glucosides

  2020 European Journal of Organic Chemistry article Chemistry Carbohydrate Chemistry and Synthesis Open access

  21

  citations
• The Hydrogenation Problem in Cobalt‐based Catalytic Hydroaminomethylation

  2020 ChemistrySelect article Chemistry Organometallic Complex Synthesis and Catalysis Open access

  6

  citations
• Compression of curium pyrrolidine-dithiocarbamate enhances covalency

  2020 Nature article Chemistry Radioactive element chemistry and processing Open access

  71

  citations

17 results