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Theoretica chimica acta
Title
Publication Date
Language
Citations
Restricted random walks on graphs
1995/01/01
Kinetic energy analysis of atomic multiplets
1996/01/01
Molecular structures of mononitroanilines and their thermal decomposition products
1997/01/01
Hydrogen-bonded and van der Waals complexes studied by a Gaussian density functional method. The case of (HF)
1995/01/01
Cuboidal basis functions
1995/01/01
Solvent effects on isomerization equilibria: an energetic analysis in the framework of density functional theory
1995/01/01
The nature of the carbon–carbon bond in the C
1995/01/01
Pseudo-point groups and chronality in enumeration of reaction pairs
1996/01/01
The evaluation of moments for benzenoid hydrocarbons
1995/01/01
Transition state localization by a density functional method. Applications to isomerization and symmetry-forbidden reactions
1995/01/01
Spin density in first-row atoms from the Hiller–Sucher–Feinberg identity
1995/01/01
Ab initio
1996/01/01
Über die Fehleinschätzung der Theorie
1978/06/01
German
Eine Variante des CNDO-Verfahrens unter Einbeziehung vond-Funktionen
1978/06/01
German
Screened potential in π-electron systems and its application to the estimation of excitation energies
1978/06/01
English
Anab initio theoretical study of the binding of ZnII with biologically significant ligands: CO2, H2O, OH−, imidazole, and imidazolate
1978/06/01
English
Zur Theorie der Chiralitätsfunktionen
1978/06/01
German
Potential energy surfaces for BeH2 and BH2
1978/06/01
English
On a formal treatment of the Rayleigh-Schrödinger perturbation theory
1978/06/01
English
On the calculation of correlation energies in the spin-density functional formalism
1978/06/01
English
Book review
1978/06/01
English
Zur Theorie der Chiralitätsfunktionen
1978/06/01
German
Bemerkungen des Herausgebers zu den Abhandlungen von
1978/06/01
German
The 3rd International Congress of Quantum Chemistry
1978/06/01
English
Book reviews
1977/03/01
English
V-N vertical transition of planar ethylene
1977/03/01
English
The electronic structure of molecules by a many-body approach
1977/03/01
English
Generalized brillouin theorem multiconfiguration method for excited states
1977/03/01
English
Study of the hydrogen bond and of the proton transfer between two H2S molecules
1977/03/01
English
Die paramagnetische suszeptibilität eines nicht kugelsymmetrischen systems
1977/03/01
German
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