Works matching IS 00207608 AND DT 1985 AND VI 28 AND IP 6

Results: 11

Cation-ligand interactions: Reproduction of extended basis set Ab initio SCF computations by the SIBFA 2 additive procedure.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. 757, doi. 10.1002/qua.560280610

By:

Gresh, N.;
Pullman, A.;
Claverie, P.

Publication type:

Article

A quality test for the Hartree-Fock-Roothaan SCF wave functions.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. 687, doi. 10.1002/qua.560280603

By:

Sordo, J. A.;
Pueyo, L.

Publication type:

Article

On the evaluation of the integral 〈 p<sub> u</sub>|∂/∂ν| s〉 occurring in covalency reduction factor.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. 723, doi. 10.1002/qua.560280607

By:

Jaiswal, P. S.;
Lahiry, S.

Publication type:

Article

Inner projection with and without perturbation theory: The anharmonic oscillator revisited and the quadratic Zeeman effect in ground-state hydrogen.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. 665, doi. 10.1002/qua.560280602

By:

Cizek, J.;
Vrscay, E. R.

Publication type:

Article

On the electronic structure of transition-metal complexes II. Bonding characteristics in titanium chloride systems.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. 715, doi. 10.1002/qua.560280606

By:

Hilal, Rifaat

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. fmi, doi. 10.1002/qua.560280601
Publication type:: Article

Orbital correlation diagrams based on multiconfigurational variation of moments II. Application.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. 703, doi. 10.1002/qua.560280605

By:

Müller-Remmers, Peter L.;
Jug, Karl

Publication type:

Article

Quasirelativistic methods.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. 741, doi. 10.1002/qua.560280609

By:

Karwowski, J.;
Kobus, J.

Publication type:

Article

Theoretical investigations of the electronic states of porphyrins. III. Low-lying electronic states of porphinatoiron(II).

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. 773, doi. 10.1002/qua.560280611

By:

Rawlings, Diane C.;
Gouterman, Martin;
Davidson, Ernest R.;
Feller, David

Publication type:

Article

Molecular-orbital treatment of some heterocycles with three hetero-atoms and their benzo-derivatives.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. 731, doi. 10.1002/qua.560280608

By:

Abu-Eittah, Rafie H.;
Hamed, Maher M.;
Nigm, Abdullah;
El-Azhary, Adel

Publication type:

Article

Orbital correlation diagrams based on multiconfigurational variation of moments I. Theory.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 6, p. 691, doi. 10.1002/qua.560280604

By:

Müller-Remmers, Peter L.;
Jug, Karl

Publication type:

Article