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Journal Article (54)

  1. 2006
    Journal Article
    Kohout, M.; Wagner, F. R.; Grin, Y.: Atomic Shells From the Electron Localizability in Momentum Space. International Journal of Quantum Chemistry 106 (7), pp. 1499 - 1507 (2006)
  2. Journal Article
    Ormeci, A.; Rosner, H.; Wagner, F. R.; Kohout, M.; Grin, Y.: Electron Localization Function in Full-Potential Representation for Crystalline Materials. The Journal of Physical Chemistry A 110 (3), pp. 1100 - 1105 (2006)
  3. 2005
    Journal Article
    Bronger, W.; Kniep, R.; Kohout, M.: Zur Raumchemie des Wasserstoffs in binären und ternären Metallhydriden. Zeitschrift für Anorganische und Allgemeine Chemie 631 (2-3), pp. 265 - 271 (2005)
  4. Journal Article
    Kohout, M.; Pernal, K.; Wagner, F. R.; Grin, Y.: Electron localizability indicator for correlated wavefunctions. II Antiparallel-spin pairs. Theoretical Chemistry Accounts 113 (5), pp. 287 - 293 (2005)
  5. 2004
    Journal Article
    Bronger, W.; Kniep, R.; Kohout, M.: Volume Chemistry of Nitrogen in Binary Metal Nitrides and Subnitrides. Zeitschrift für Anorganische und Allgemeine Chemie 630 (1), pp. 117 - 121 (2004)
  6. Journal Article
    Carrillo-Cabrera, W.; Čurda, J.; Peters, K.; Kohout, M.; Schnering, H. G. v.: Pentalanthanum ethenide(4-) digermanide(4-), La5(C2)Ge2. Zeitschrift für Anorganische und Allgemeine Chemie 630 (13-14), pp. 2186 - 2190 (2004)
  7. Journal Article
    Kohout, M.; Pernal, K.; Wagner, F. R.; Grin, Y.: Electron localizability indicator for correlated wavefunctions. I. Parallel-spin pairs. Theoretical Chemistry Accounts 112 (5-6), pp. 453 - 459 (2004)
  8. Journal Article
    Kohout, M.: A Measure of Electron Localizability. International Journal of Quantum Chemistry 97 (1), pp. 651 - 658 (2004)
  9. 2003
    Journal Article
    Tsirelson, V.; Stash, A.; Kohout, M.; Rosner, H.; Mori, H.; Sato, S.; Lee, S.; Yamamoto, A.; Tajima, S.; Grin, Y.: Features of the electron density in magnesium diboride: reconstruction from X-ray diffraction data and comparison with TB-LMTO and FPLO calculations. Acta Crystallographica Section B-Structural Science 59, pp. 575 - 583 (2003)
  10. 2002
    Journal Article
    Hochrein, O.; Kohout, M.; Schnelle, W.; Kniep, R.: Li4Sr2[Cr2N6]: Ein Hexanitridodichromat (V). Zeitschrift für Anorganische und Allgemeine Chemie 628 (12), pp. 2738 - 2743 (2002)
  11. Journal Article
    Kohout, M.; Wagner, F. R.; Grin, Y.: Electron localization function for transition-metal compounds. Theoretical Chemistry Accounts 108 (3), pp. 150 - 156 (2002)
  12. Journal Article
    Kohout, M.: On the Relationship between the One-Electron and Bohm's Quantum Potential. International Journal of Quantum Chemistry 87 (1), pp. 12 - 14 (2002)
  13. 2001
    Journal Article
    Kohout, M.: Occupation Numbers for Atomic Shells in Direct Space Bounded by the Maxima of the One-Electron Potential. International Journal of Quantum Chemistry 83, pp. 324 - 331 (2001)
  14. Journal Article
    Kohout, M.; Wagner, F. R.; Grin, Y.: Elektronen-Lokalisierungs-Funktion in Bindungen mit Übergangsmetall-Beteiligung. MPG Jahrbuch, pp. 617 - 619 (2001)

Book Chapter (4)

  1. 2016
    Book Chapter
    Baranov, A.; Ponec, R.; Kohout, M.: Chemical bonding in solids: recovering chemical concepts in the realm of infinite periodic structures. In: Chemical Modelling: Volume 12, Vol. 12, pp. 53 - 83. The Royal Society of Chemistry, Cambridge (2016)
  2. Book Chapter
    Kohout, M.: Electron Pairs in Position Space. In: Structure and Bonding, Vol. 170, pp. 119 - 168. Springer, Cham (2016)
  3. 2012
    Book Chapter
    Pendás, A. M.; Kohout, M.; Blanco, M. A.; Francisco, E.: Beyond standard charge density topological analyses. In: Modern charge-density analysis, pp. 303 - 358 (Ed. Gatti, C.). Springer, Dordrecht; Heidelberg [u.a.] (2012)
  4. 2006
    Book Chapter
    Bronger, W.; Kniep, R.; Kohout, M.: Zusammenhänge zwischen Atomvolumina und Bindungseigenschaften, Beispiele aus den Bereichen der Metallhydride und der intermetallischen Verbindungen. In: 20 Jahre Wilhelm-Klemm-Stiftung, pp. 55 - 70 (Ed. Kuratorium der Wilhelm-Klemm-Stiftung). Shaker Verl., Aachen (2006)
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