Publications of Miroslav Kohout
All genres
Journal Article (58)
2014
Journal Article
20 (8), 2361, pp. 1 - 13 (2014)
Insight into the informational-structure behavior of the Diels-Alder reaction of cyclopentadiene and maleic anhydride. Journal of Molecular Modeling 2013
Journal Article
132 (11), 1392, pp. 1392-1 - 1392-13 (2013)
How does the ambiguity of the electronic stress tensor influence its ability to reveal the atomic shell structure. Theoretical Chemistry Accounts
Journal Article
639 (11 Sp. Iss. SI), pp. 2025 - 2035 (2013)
A Position-Space View on Chemical Bonding in Metal Diborides with AlB2 Type of Crystal Structure. Zeitschrift für Anorganische und Allgemeine Chemie 2012
Journal Article
Domain-averaged Fermi-hole analysis for solids. 21, 214109, pp. 214109-1 - 214109-12 (2012)
Journal Article
131 (2), 1106, pp. 1 - 8 (2012)
Chemical bonding descriptors based on electron density inhomogeneity measure: a comparison with ELI-D. Theoretical Chemistry Accounts
Journal Article
51 (14), pp. 7472 - 7483 (2012)
TM7TM′6B8 (TM = Ta, Nb; TM′ = Ru, Rh, Ir): New Compounds with [B6] Ring Polyanions. Inorganic Chemistry 2011
Journal Article
32 (10), pp. 2064 - 2076 (2011)
Electron localization and delocalization indices for solids. Journal of Computational Chemistry
Journal Article
17 (12), pp. 3347 - 3351 (2011)
Sr2Ni3—A Strontium Subnickelide? Chemistry - A European Journal
Journal Article
128 (1), pp. 39 - 46 (2011)
Atomic shell structure based on inhomogeneity measures of the electron density. Theoretical Chemistry Accounts 2010
Journal Article
71 (9), pp. 1350 - 1356 (2010)
Topological analysis of real space properties for the solid-state full-potential APW DFT method. Journal of Physics and Chemistry of Solids
Journal Article
31 (12), pp. 2273 - 2285 (2010)
Electron Localizability Indicators ELI-D and ELIA for Highly Correlated Wavefunctions of Homonuclear Dimers. II. N2, O2, F2, and Ne2. Journal of Computational Chemistry
Journal Article
31 (7), pp. 1504 - 1519 (2010)
Electron Localizability Indicators ELI-D and ELIA for Highly Correlated Wavefunctions of Homonuclear Dimers. I. Li2, Be2, B2, and C2. Journal of Computational Chemistry 2009
Journal Article
48, pp. 6261 - 6270 (2009)
EuTM2Ga8 (TM = Co, Rh, Ir) - A Contribution to the Chemistry of the CeFe2Al8-type Compounds. Inorganic Chemistry 2008
Journal Article
29, pp. 2161 - 2171 (2008)
Electron Localizability for Hexagonal Element Structures. Journal of Computational Chemistry
Journal Article
634, pp. 2747 - 2753 (2008)
On the Volume Chemistry of Solid Compounds: the Legacy of Wilhelm Biltz. Zeitschrift für Anorganische und Allgemeine Chemie
Journal Article
29, pp. 1198 - 1207 (2008)
Electron Localizability Indicators ELI and ELIA: The Case of Highly Correlated Wavefunctions for the Argon Atom. Journal of Computational Chemistry
Journal Article
119, pp. 413 - 420 (2008)
Electron localizability indicator for correlated wavefunctions. III: singlet and triplet pairs. Theoretical Chemistry Accounts
Journal Article
181, pp. 1983 - 1991 (2008)
Synthesis, chemical bonding and physical properties of RERhB4 (RE = Y, Dy-Lu). Journal of Solid State Chemistry
Journal Article
112, pp. 9814 - 9828 (2008)
Direct Space Decomposition of ELI-D: Interplay of Charge Density and Pair-Volume Function for Different Bonding Situations. Journal of Physical Chemistry A 2007
Journal Article
222, pp. 527 - 531 (2007)
Spatial chemistry of the aluminium-platinum compounds: a quantum chemical approach. Zeitschrift für Kristallographie