Works matching IS 00207608 AND DT 1994 AND VI 52 AND IP 6

Results: 11

A semiclassical density functional evaluation of the smoothly varying part of the Hartree-Fock binding energy in atoms.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. 1349, doi. 10.1002/qua.560520610

By:

Delchev, Ya. I.;
Pavlov, R. L.;
Pavlova, A.;
Marinova, L. P.;
Maruani, Jean

Publication type:

Article

Lower and upper bounds of the energy spectrum for potentials with multiminima.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. 1267, doi. 10.1002/qua.560520603

By:

Žitňan, Peter

Publication type:

Article

Role of tunneling of hydrogen in photoenolization of a ketone.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. 1317, doi. 10.1002/qua.560520607

By:

Sengupta, Debasis;
Chandra, A. K.

Publication type:

Article

Fast and stable algorithm for the analytical computation of two-center Coulomb and overlap integrals over Slater-type orbitals.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. 1249, doi. 10.1002/qua.560520602

By:

Hierse, W.;
Oppeneer, P. M.

Publication type:

Article

On a generalized Kepler-Coulomb system: Interbasis expansions.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. 1301, doi. 10.1002/qua.560520606

By:

Kibler, M.;
Mardoyan, L. G.;
Pogosyan, G. S.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. fmi, doi. 10.1002/qua.560520601
Publication type:: Article

Extrapolation of real-space quantum chemical calculations from finite-size super cells to the ideal infinite system. II. Application to one-dimensional polymers.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. 1287, doi. 10.1002/qua.560520605

By:

Nolting, V.;
Verwoerd, W. S.

Publication type:

Article

X-ray scattering by water molecules studied by using synchrotron radiation.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. 1339, doi. 10.1002/qua.560520609

By:

Takeuchi, Hiroshi;
Nakagawa, Makoto;
Saito, Takayuki;
Egawa, Toru;
Tanaka, Kiyoshi;
Konaka, Shigehiro;
Mitsuhashi, Toshiyuki

Publication type:

Article

Construction of linearly independent relativistic symmetry orbitals for finite double-point groups including time reversal symmetry.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. 1369, doi. 10.1002/qua.560520611

By:

Meyer, J.

Publication type:

Article

Extrapolation of real-space quantum chemical calculations from finite-size super cells to the ideal infinite system. I. Theory.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. 1273, doi. 10.1002/qua.560520604

By:

Nolting, V.;
Verwoerd, W. S.

Publication type:

Article

Spectroscopic properties and potential energy curves of some low-lying electronic states of AlO, AlO<sup>+</sup>, LaO, and LaO<sup>+</sup>: An ab initio CASSCF study.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 6, p. 1329, doi. 10.1002/qua.560520608

By:

Márquez, Antonio;
Capitán, Maria José;
Odriozola, José Antonio;
Sanz, Javier Fernández

Publication type:

Article