Publikationen von M. Kohout
Alle Typen
Zeitschriftenartikel (58)
2007
Zeitschriftenartikel
135, S. 43 - 54 (2007)
Bonding indicators from electron pair density functionals. Faraday Discussions
Zeitschriftenartikel
117, S. 41 - 48 (2007)
Quantum Monte Carlo calculation of correlation effects on bond orders. Theoretical Chemistry Accounts
Zeitschriftenartikel
13, S. 5724 - 5741 (2007)
Charge Decomposition Analysis of the Electron Localizability Indicator: A Bridge between the Orbital and Direct Space Representation of the Chemical Bond. Chemistry - A European Journal 2006
Zeitschriftenartikel
179 (6), S. 1707 - 1719 (2006)
CuAl2 revisited: Composition, crystal structure, chemical bonding, compressibility and Raman spectroscopy. Journal of Solid State Chemistry
Zeitschriftenartikel
106 (7), S. 1499 - 1507 (2006)
Atomic Shells From the Electron Localizability in Momentum Space. International Journal of Quantum Chemistry
Zeitschriftenartikel
110 (3), S. 1100 - 1105 (2006)
Electron Localization Function in Full-Potential Representation for Crystalline Materials. The Journal of Physical Chemistry A 2005
Zeitschriftenartikel
631 (2-3), S. 265 - 271 (2005)
Zur Raumchemie des Wasserstoffs in binären und ternären Metallhydriden. Zeitschrift für Anorganische und Allgemeine Chemie
Zeitschriftenartikel
113 (5), S. 287 - 293 (2005)
Electron localizability indicator for correlated wavefunctions. II Antiparallel-spin pairs. Theoretical Chemistry Accounts 2004
Zeitschriftenartikel
630 (1), S. 117 - 121 (2004)
Volume Chemistry of Nitrogen in Binary Metal Nitrides and Subnitrides. Zeitschrift für Anorganische und Allgemeine Chemie
Zeitschriftenartikel
630 (13-14), S. 2186 - 2190 (2004)
Pentalanthanum ethenide(4-) digermanide(4-), La5(C2)Ge2. Zeitschrift für Anorganische und Allgemeine Chemie
Zeitschriftenartikel
97 (1), S. 651 - 658 (2004)
A Measure of Electron Localizability. International Journal of Quantum Chemistry
Zeitschriftenartikel
112 (5-6), S. 453 - 459 (2004)
Electron localizability indicator for correlated wavefunctions. I. Parallel-spin pairs. Theoretical Chemistry Accounts 2003
Zeitschriftenartikel
59, S. 575 - 583 (2003)
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 2002
Zeitschriftenartikel
628 (12), S. 2738 - 2743 (2002)
Li4Sr2[Cr2N6]: Ein Hexanitridodichromat (V). Zeitschrift für Anorganische und Allgemeine Chemie
Zeitschriftenartikel
87 (1), S. 12 - 14 (2002)
On the Relationship between the One-Electron and Bohm's Quantum Potential. International Journal of Quantum Chemistry
Zeitschriftenartikel
108 (3), S. 150 - 156 (2002)
Electron localization function for transition-metal compounds. Theoretical Chemistry Accounts 2001
Zeitschriftenartikel
83, S. 324 - 331 (2001)
Occupation Numbers for Atomic Shells in Direct Space Bounded by the Maxima of the One-Electron Potential. International Journal of Quantum Chemistry
Zeitschriftenartikel
Elektronen-Lokalisierungs-Funktion in Bindungen mit Übergangsmetall-Beteiligung. MPG Jahrbuch, S. 617 - 619 (2001)
Buchkapitel (5)
2021
Buchkapitel
Electron localizability indicator and bonding analysis with DGrid. In: Complementary Bonding Analysis, S. 75 - 112 (Hg. Grabowsky, S.). De Gruyter, Berlin (2021)
2016
Buchkapitel
12, S. 53 - 83. The Royal Society of Chemistry, Cambridge (2016)
Chemical bonding in solids: recovering chemical concepts in the realm of infinite periodic structures. In: Chemical Modelling: Volume 12, Bd.