All genres
2007
Journal Article
135, pp. 43 - 54 (2007)
Bonding indicators from electron pair density functionals. Faraday Discussions
Journal Article
117, pp. 41 - 48 (2007)
Quantum Monte Carlo calculation of correlation effects on bond orders. Theoretical Chemistry Accounts
Journal Article
13, pp. 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
Journal Article
179 (6), pp. 1707 - 1719 (2006)
CuAl2 revisited: Composition, crystal structure, chemical bonding, compressibility and Raman spectroscopy. Journal of Solid State Chemistry
Journal Article
106 (7), pp. 1499 - 1507 (2006)
Atomic Shells From the Electron Localizability in Momentum Space. International Journal of Quantum Chemistry
Journal Article
110 (3), pp. 1100 - 1105 (2006)
Electron Localization Function in Full-Potential Representation for Crystalline Materials. The Journal of Physical Chemistry A 2005
Journal Article
631 (2-3), pp. 265 - 271 (2005)
Zur Raumchemie des Wasserstoffs in binären und ternären Metallhydriden. Zeitschrift für Anorganische und Allgemeine Chemie
Journal Article
113 (5), pp. 287 - 293 (2005)
Electron localizability indicator for correlated wavefunctions. II Antiparallel-spin pairs. Theoretical Chemistry Accounts 2004
Journal Article
630 (1), pp. 117 - 121 (2004)
Volume Chemistry of Nitrogen in Binary Metal Nitrides and Subnitrides. Zeitschrift für Anorganische und Allgemeine Chemie
Journal Article
630 (13-14), pp. 2186 - 2190 (2004)
Pentalanthanum ethenide(4-) digermanide(4-), La5(C2)Ge2. Zeitschrift für Anorganische und Allgemeine Chemie
Journal Article
97 (1), pp. 651 - 658 (2004)
A Measure of Electron Localizability. International Journal of Quantum Chemistry
Journal Article
112 (5-6), pp. 453 - 459 (2004)
Electron localizability indicator for correlated wavefunctions. I. Parallel-spin pairs. Theoretical Chemistry Accounts 2003
Journal Article
59, pp. 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
Journal Article
628 (12), pp. 2738 - 2743 (2002)
Li4Sr2[Cr2N6]: Ein Hexanitridodichromat (V). Zeitschrift für Anorganische und Allgemeine Chemie
Journal Article
87 (1), pp. 12 - 14 (2002)
On the Relationship between the One-Electron and Bohm's Quantum Potential. International Journal of Quantum Chemistry
Journal Article
108 (3), pp. 150 - 156 (2002)
Electron localization function for transition-metal compounds. Theoretical Chemistry Accounts 2001
Journal Article
83, pp. 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
Journal Article
Elektronen-Lokalisierungs-Funktion in Bindungen mit Übergangsmetall-Beteiligung. MPG Jahrbuch, pp. 617 - 619 (2001)
2021
Book Chapter
Electron localizability indicator and bonding analysis with DGrid. In: Complementary Bonding Analysis, pp. 75 - 112 (Ed. Grabowsky, S.). De Gruyter, Berlin (2021)
2016
Book Chapter
12, pp. 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, Vol.