Search for New Indicators

Chemical bonding in intermetallic compounds

• Atomic shell structure determined by the curvature of the electron position uncertainty,
  M. Kohout, Mol. Phys.. 2016, 114, 1297-1303.
• ELF and its relatives – A detailed study about the robustness of the atomic shell structure in real space,
  K. Finzel, Int. J. Quantum Chem. 2014, 114, 1546-1558.
• How does the ambiguity of the electronic stress tensor influence its ability to serve as bonding indicator,
  K. Finzel, Int. J. Quantum Chem. 2014, 114, 568-576.
• How does the ambiguity of the electronic stress tensor influence its ability to reveal the atomic shell structure,
  K. Finzel, M. Kohout, Theor. Chem. Acc. 2013, 132, 1392-1404.
• Chemical bonding descriptors based on electron density inhomogeneity measure: a comparison with ELI-D,
  K. Finzel, Yu. Grin, M. Kohout, Theor. Chem. Acc. 2012, 131, 1106-1113.
• Atomic shell structures based on inhomogeneity measure of the electron density,
  K. Wagner, M. Kohout, Theor. Chem. Acc. 2011, 128, 39-46.