Miroslav Kohout, Ph.D.
Affiliations: | Max-Planck Institutte |
Area:
Theoretical ChemistryWebsite:
http://www.cpfs.mpg.de/web/forschung/kompgrupp/chembond/kohout.aspxGoogle:
"Miroslav Kohout"Mean distance: 10.26 | S | N | B | C | P |
Parents
Sign in to add mentor| Heinzwerner Preuß | grad student | 1999 | Universität Stuttgart | |
| (Die Elektronen-Lokalisierungsfunktion und ionische Bindung) | ||||
| Andréas Savin | grad student | 1999 | Universität Stuttgart | |
| (Die Elektronen-Lokalisierungsfunktion und ionische Bindung) | ||||
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Publications
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| Menéndez Crespo D, Wagner FR, Francisco E, et al. (2021) Interacting Quantum Atoms Method for Crystalline Solids. The Journal of Physical Chemistry. A. 125: 9011-9025 |
| Finzel K, Kohout M. (2019) A study of the basis set dependence of the bifunctional expression of the non-interacting kinetic energy for atomic systems Computational and Theoretical Chemistry. 1155: 56-60 |
| Finzel K, Kohout M. (2018) A fragment-based approximation of the Pauli kinetic energy Theoretical Chemistry Accounts. 137 |
| Poddig H, Donath T, Gebauer P, et al. (2018) Rare Earth Metal Polytellurides RE Te1.8 (RE = Gd, Tb, Dy) - Directed Synthesis, Crystal and Electronic Structures, and Bonding Features Zeitschrift FüR Anorganische Und Allgemeine Chemie. 644: 1886-1896 |
| Kohout M. (2017) Electron pairing over domains Acta Crystallographica Section a Foundations and Advances. 73: C1437-C1437 |
| Gallo-Bueno A, Kohout M, Martín Pendás A. (2016) Decay rate of correlated real space delocalization measures: insights into chemical bonding and Mott transitions from Hydrogen chains. Journal of Chemical Theory and Computation |
| Checinska L, Mebs S, Ośmiałowski B, et al. (2016) Tuning the electronic properties of the dative N-B bond with associated O-B interaction - the electron localizability indicator from X-ray wavefunction refinement. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |
| Gumeniuk R, Schnelle W, Burkhardt U, et al. (2015) ThPt2: A New Representative of Close Packed Tetragonal Structures. Inorganic Chemistry |
| Kohout M. (2015) Atomic shell structure determined by the curvature of the electron position uncertainty Molecular Physics. 1-7 |
| Cooper DL, Ponec R, Kohout M. (2015) New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C2 Molecular Physics. 1-15 |