Theoretica chimica acta

Title Publication Date Language Citations
Restricted random walks on graphs1995/01/01
Kinetic energy analysis of atomic multiplets1996/01/01
Molecular structures of mononitroanilines and their thermal decomposition products1997/01/01
Hydrogen-bonded and van der Waals complexes studied by a Gaussian density functional method. The case of (HF)1995/01/01
Cuboidal basis functions1995/01/01
Solvent effects on isomerization equilibria: an energetic analysis in the framework of density functional theory1995/01/01
The nature of the carbon–carbon bond in the C1995/01/01
Pseudo-point groups and chronality in enumeration of reaction pairs1996/01/01
The evaluation of moments for benzenoid hydrocarbons1995/01/01
Transition state localization by a density functional method. Applications to isomerization and symmetry-forbidden reactions1995/01/01
Spin density in first-row atoms from the Hiller–Sucher–Feinberg identity1995/01/01
Ab initio1996/01/01
Über die Fehleinschätzung der Theorie1978/06/01German
Eine Variante des CNDO-Verfahrens unter Einbeziehung vond-Funktionen1978/06/01German
Screened potential in π-electron systems and its application to the estimation of excitation energies1978/06/01English
Anab initio theoretical study of the binding of ZnII with biologically significant ligands: CO2, H2O, OH−, imidazole, and imidazolate1978/06/01English
Zur Theorie der Chiralitätsfunktionen1978/06/01German
Potential energy surfaces for BeH2 and BH21978/06/01English
On a formal treatment of the Rayleigh-Schrödinger perturbation theory1978/06/01English
On the calculation of correlation energies in the spin-density functional formalism1978/06/01English
Book review1978/06/01English
Zur Theorie der Chiralitätsfunktionen1978/06/01German
Bemerkungen des Herausgebers zu den Abhandlungen von1978/06/01German
The 3rd International Congress of Quantum Chemistry1978/06/01English
Book reviews1977/03/01English
V-N vertical transition of planar ethylene1977/03/01English
The electronic structure of molecules by a many-body approach1977/03/01English
Generalized brillouin theorem multiconfiguration method for excited states1977/03/01English
Study of the hydrogen bond and of the proton transfer between two H2S molecules1977/03/01English
Die paramagnetische suszeptibilität eines nicht kugelsymmetrischen systems1977/03/01German