Publications of M. Kohout

Gallo-Bueno, A.; Kohout, M.; Francisco, E.; Pendás, Á. M.: Localization and Delocalization in Solids from Electron Distribution Functions. Journal of Chemical Theory and Computation, pp. 4245 - 4254 (2022)

Kohout, M.; Gumeniuk, R.; Leithe-Jasper, A.: Chemical Bonding in the Intermetallic Compounds LaBeGe and ThBeGe. European Journal of Inorganic Chemistry, e202200383, pp. 1 - 8 (2022)

Kotsch, M.; Prots, Y.; Ormeci, A.; Senyshyn, A.; Kohout, M.; Grin, Y.: Bell–like [Ga5] clusters in Sr₃Li₅Ga₅: synthesis, crystal structure and bonding analysis. Zeitschrift für anorganische und allgemeine Chemie 647, pp. 1797 - 1803 (2021)

Menéndez Crespo, D.; Wagner, F. R.; Francisco, E.; Pendás, Á. M.; Grin, Y.; Kohout, M.: Interacting Quantum Atoms Method for Crystalline Solids. The Journal of Physical Chemistry A 125 (40), pp. 9011 - 9025 (2021)

Pabst, F.; Chang, J.-H.; Finzel, K.; Kohout, M.; Schmidt, P.; Ruck, M.: The Subbromide Bi₅Br₄ – On the Existence of a Hidden Phase. Zeitschrift für anorganische und allgemeine Chemie 646 (3), pp. 149 - 155 (2020)

Finzel, K.; Kohout, M.: A study of the basis set dependence of the bifunctional expression of the non-interacting kinetic energy for atomic systems. Computational & Theoretical Chemistry 1155, pp. 56 - 60 (2019)

Flipo, S.; Kohout, M.; Roth, F.; Weigel, T.; Schnelle, W.; Bobnar, M.; Ormeci, A.; Burkhardt, U.; Hennig, C.; Leisegang, T. et al.; Meyer, D.-C.; Leithe-Jasper, A.; Gumeniuk, R.: CeMo₂B₅: A New Type of Arrangement of Puckered Boron Hexagonal Rings. European Journal of Inorganic Chemistry, pp. 3572 - 3580 (2019)

Finzel, K.; Kohout, M.: A fragment-based approximation of the Pauli kinetic energy. Theoretical Chemistry Accounts 137 (12), 182, pp. 1 - 9 (2018)

Poddig, H.; Donath, T.; Gebauer, P.; Finzel, K.; Kohout, M.; Wu, Y.; Schmidt, P.; Doert, T.: Rare Earth Metal Polytellurides RETe_1.8 (RE = Gd, Tb, Dy) - Directed Synthesis, Crystal and Electronic Structures, and Bonding Features. Zeitschrift für anorganische und allgemeine Chemie 644 (24), pp. 1886 - 1896 (2018)

Gumeniuk, R.; Kohout, M.; Schnelle, W.; Burkhardt, U.; Zschornak, M.; Leithe-Jasper, A.: ThPt_3+xBe (x=0.08): Crystal Structure and Physical Properties. European Journal of Inorganic Chemistry 2017 (1), pp. 179 - 185 (2017)

Matthies, O.; Grin, Y.; Kohout, M.: Absent Diamond-to-β-Sn Phase Transition for Carbon: Quantum Chemical Topology Approach. ChemistrySelect 2 (25), pp. 7659 - 7669 (2017)

Checinska, L.; Mebs, S.; Osmialowski, B.; Zakrzewska, A.; Ejsmont, K.; Kohout, M.: Tuning the Electronic Properties of the Dative N-B Bond with Associated O-B Interaction: Electron Localizability Indicator from X-Ray Wavefunction Refinement. ChemPhysChem 17 (15), pp. 2395 - 2406 (2016)

Cooper, D. L.; Ponec, R.; Kohout, M.: New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C₂. Molecular Physics 114 (7-8), pp. 1270 - 1284 (2016)

Gallo-Bueno, A.; Kohout, M.; Martin Pendas, A.: Decay Rate of Correlated Real-Space Delocalization Measures: Insights into Chemical Bonding and Mott Transitions from Hydrogen Chains. Journal of Chemical Theory and Computation 12 (7), pp. 3053 - 3062 (2016)

Grin, Y.; Armbrüster, M.; Baranov, A. I.; Finzel, K.; Kohout, M.; Ormeci, A.; Rosner, H.; Wagner, F. R.: Atomic interactions in the intermetallic catalyst GaPd. Molecular Physics 114 (7-8), pp. 1250 - 1259 (2016)

Kohout, M.: Atomic shell structure determined by the curvature of the electron position uncertainty. Molecular Physics 114 (7-8), pp. 1297 - 1303 (2016)

Boucher, B.; Halet, J.-F.; Kohout, M.: Cross-cluster transition-metal bonding in oblato-nido dimetallaboranes unveiled by topological analysis. Computational & Theoretical Chemistry 1068, pp. 134 - 141 (2015)

Cooper, D. L.; Ponec, R.; Kohout, M.: Are orbital-resolved shared-electron distribution indices and Cioslowski covalent bond orders useful for molecules? Molecular Physics 113 (0), pp. 1682 - 1689 (2015)

Esquivel, R. O.; Molina-Espíritu, M.; López-Rosa, S.; Soriano-Correa, C.; Barrientos-Salcedo, C.; Kohout, M.; Dehesa, J. S.: Predominant Information Quality Scheme for the Essential Amino Acids: An Information-Theoretical Analysis. ChemPhysChem 16 (12), pp. 2571 - 2581 (2015)

Gumeniuk, R.; Schnelle, W.; Burkhardt, U.; Borrmann, H.; Nicklas, M.; Ormeci, A.; Kohout, M.; Leithe-Jasper, A.; Grin, Y.: ThPt₂: A New Representative of Close Packed Tetragonal Structures. Inorganic Chemistry 54 (13), pp. 6338 - 6346 (2015)