Alle Typen
2022
Zeitschriftenartikel
Localization and Delocalization in Solids from Electron Distribution Functions. Journal of Chemical Theory and Computation, S. 4245 - 4254 (2022)
Zeitschriftenartikel
Chemical Bonding in the Intermetallic Compounds LaBeGe and ThBeGe. European Journal of Inorganic Chemistry, e202200383, S. 1 - 8 (2022)
2021
Zeitschriftenartikel
647, S. 1797 - 1803 (2021)
Bell–like [Ga5] clusters in Sr3Li5Ga5: synthesis, crystal structure and bonding analysis. Zeitschrift für anorganische und allgemeine Chemie
Zeitschriftenartikel
125 (40), S. 9011 - 9025 (2021)
Interacting Quantum Atoms Method for Crystalline Solids. The Journal of Physical Chemistry A 2020
Zeitschriftenartikel
646 (3), S. 149 - 155 (2020)
The Subbromide Bi5Br4 – On the Existence of a Hidden Phase. Zeitschrift für anorganische und allgemeine Chemie 2019
Zeitschriftenartikel
1155, S. 56 - 60 (2019)
A study of the basis set dependence of the bifunctional expression of the non-interacting kinetic energy for atomic systems. Computational & Theoretical Chemistry
Zeitschriftenartikel
CeMo2B5: A New Type of Arrangement of Puckered Boron Hexagonal Rings. European Journal of Inorganic Chemistry, S. 3572 - 3580 (2019)
2018
Zeitschriftenartikel
137 (12), 182, S. 1 - 9 (2018)
A fragment-based approximation of the Pauli kinetic energy. Theoretical Chemistry Accounts
Zeitschriftenartikel
644 (24), S. 1886 - 1896 (2018)
Rare Earth Metal Polytellurides RETe1.8 (RE = Gd, Tb, Dy) - Directed Synthesis, Crystal and Electronic Structures, and Bonding Features. Zeitschrift für anorganische und allgemeine Chemie 2017
Zeitschriftenartikel
2017 (1), S. 179 - 185 (2017)
ThPt3+xBe (x=0.08): Crystal Structure and Physical Properties. European Journal of Inorganic Chemistry
Zeitschriftenartikel
2 (25), S. 7659 - 7669 (2017)
Absent Diamond-to-β-Sn Phase Transition for Carbon: Quantum Chemical Topology Approach. ChemistrySelect 2016
Zeitschriftenartikel
17 (15), S. 2395 - 2406 (2016)
Tuning the Electronic Properties of the Dative N-B Bond with Associated O-B Interaction: Electron Localizability Indicator from X-Ray Wavefunction Refinement. ChemPhysChem
Zeitschriftenartikel
114 (7-8), S. 1270 - 1284 (2016)
New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C2. Molecular Physics
Zeitschriftenartikel
12 (7), S. 3053 - 3062 (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
Zeitschriftenartikel
114 (7-8), S. 1250 - 1259 (2016)
Atomic interactions in the intermetallic catalyst GaPd. Molecular Physics
Zeitschriftenartikel
114 (7-8), S. 1297 - 1303 (2016)
Atomic shell structure determined by the curvature of the electron position uncertainty. Molecular Physics 2015
Zeitschriftenartikel
1068, S. 134 - 141 (2015)
Cross-cluster transition-metal bonding in oblato-nido dimetallaboranes unveiled by topological analysis. Computational & Theoretical Chemistry
Zeitschriftenartikel
113 (0), S. 1682 - 1689 (2015)
Are orbital-resolved shared-electron distribution indices and Cioslowski covalent bond orders useful for molecules? Molecular Physics
Zeitschriftenartikel
16 (12), S. 2571 - 2581 (2015)
Predominant Information Quality Scheme for the Essential Amino Acids: An Information-Theoretical Analysis. ChemPhysChem
Zeitschriftenartikel
54 (13), S. 6338 - 6346 (2015)
ThPt2: A New Representative of Close Packed Tetragonal Structures. Inorganic Chemistry