Assessing the performance of recent density functionals for bulk solids

• Synthesis, Crystal Structure and Properties of Iron Bisdicyanamide (Fe[N(CN)2]2) and Iron Diammine Bisdicyanamide (Fe[NH3]2[N(CN)2]2)

  2026 Inorganics article Materials Science Magnetism in coordination complexes Open access

  0

  citations
• Trapping the Excess Electron of FeB-Type CeSi by Hydrogenation ─ Formation of Ferromagnetic Hydrides CeSiH x ( T C ≈ 24 K)

  2026 Inorganic Chemistry article Physics and Astronomy Rare-earth and actinide compounds Open access

  1

  citations
• Cation-Tuned Reaction Mechanisms in Metal Dicyanamide Anodes for Lithium-Ion Batteries with High Reversible Capacity

  2026 ACS Nano article Engineering Advancements in Battery Materials

  2

  citations
• Experimental and Theoretical Force Constants as Meaningful Indicator for Interatomic Bonding Characteristics and the Specific Case of Elemental Antimony

  2025 Advanced Materials article Physics and Astronomy X-ray Spectroscopy and Fluorescence Analysis Open access

  4

  citations
• Novel Mn[N(CN)2]2 Anode with Cationic and Anionic Redox Chemistry for Li‐Ion Batteries

  2024 Advanced Functional Materials article Engineering Advancements in Battery Materials

  3

  citations
• Perovskite-Like Carbodiimides AB(NCN)3: Synthesis and Characterization of MnHf(NCN)3 and FeHf(NCN)3

  2024 Journal of the American Chemical Society article Chemistry Inorganic Chemistry and Materials

  11

  citations
• Multidimensional Rietveld refinement of high-pressure neutron diffraction data of PbNCN

  2024 Journal of Applied Crystallography article Materials Science X-ray Diffraction in Crystallography Open access

  5

  citations
• Fragment Orbitals Extracted from First-Principles Plane-Wave Calculations

  2024 Inorganic Chemistry article Physics and Astronomy Advanced Chemical Physics Studies

  37

  citations
• Quantum Chemical Similarities of Bonding in Polyiodides and Phase-Change Materials

  2023 Inorganic Chemistry article Chemistry Crystallography and molecular interactions

  15

  citations
• Synthesis and Characterization of Iron Bispyridine Bisdicyanamide, Fe[C5H5N]2[N(CN)2]2

  2023 Molecules article Chemistry Crystal structures of chemical compounds Open access

  2

  citations
• Between Elemental Match and Mismatch: From K12Ge3.5Sb6 to Salts of (Ge2Sb2)2−, (Ge4Sb12)4−, and (Ge4Sb14)4−

  2022 Angewandte Chemie International Edition article Chemistry Synthesis and characterization of novel inorganic/organometallic compounds Open access

  6

  citations
• Between Elemental Match and Mismatch: From K12Ge3.5Sb6 to Salts of (Ge2Sb2)2−, (Ge4Sb12)4−, and (Ge4Sb14)4−

  2022 Angewandte Chemie article Chemistry Synthesis and characterization of novel inorganic/organometallic compounds Open access

  1

  citations
• Structural Phase Transitions and Magnetic Superexchange in MIAgIIF3 Perovskites at High Pressure**

  2022 Chemistry - A European Journal article Materials Science Solid-state spectroscopy and crystallography Open access

  1

  citations
• The Orbital Origins of Chemical Bonding in Ge−Sb−Te Phase‐Change Materials**

  2022 Angewandte Chemie International Edition article Materials Science Phase-change materials and chalcogenides Open access

  66

  citations
• Orbitale als Ausgangspunkt der Chemischen Bindung in Ge−Sb−Te‐Phasenwechselmaterialien**

  2022 Angewandte Chemie article Materials Science Phase-change materials and chalcogenides Open access

  1

  citations
• Long‐Range Forces in Rock‐Salt‐Type Tellurides and How they Mirror the Underlying Chemical Bonding

  2021 Advanced Materials article Materials Science Phase-change materials and chalcogenides Open access

  64

  citations
• Crystal Orbital Bond Index: Covalent Bond Orders in Solids

  2021 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

  392

  citations

17 results