Works matching IS 00207608 AND DT 1996 AND VI 62 AND IP 2

Results: 11

Single-reference CCSD approach employing three- and four-body CAS SCF corrections: A preliminary study of a simple model.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 137, doi. 10.1002/(SICI)1097-461X(1997)62:2<137::AID-QUA2>3.0.CO;2-X

By:

Peris, G.;
Planelles, J.;
Paldus, J.

Publication type:

Article

On the restricted step method coupled with the augmented Hessian for the search of stationary points of any continuous function.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 153, doi. 10.1002/(SICI)1097-461X(1997)62:2<153::AID-QUA3>3.0.CO;2-V

By:

Anglada, Josep Maria;
Bofill, Josep Maria

Publication type:

Article

13-atom Ni-Al alloy clusters: Structures and dynamics.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 185, doi. 10.1002/(SICI)1097-461X(1997)62:2<185::AID-QUA7>3.0.CO;2-S

By:

Krissinel, E. B.;
Jellinek, J.

Publication type:

Article

Oscillators in one and two dimensions and ladder operators for the Morse and Coulomb problems.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 177, doi. 10.1002/(SICI)1097-461X(1997)62:2<177::AID-QUA6>3.0.CO;2-T

By:

Núñez-Yépez, H. N.;
López-Bonilla, J. L.;
Navarrete, D.;
Salas-Brito, A. L.

Publication type:

Article

Molecular and biomolecular electronics.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 237, doi. 10.1002/(SICI)1097-461X(1997)62:2<237::AID-QUA11>3.0.CO;2-8

By:

Michl, Josef

Publication type:

Article

Internal rotation study of some sixfold barrier molecules.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 213, doi. 10.1002/(SICI)1097-461X(1997)62:2<213::AID-QUA9>3.0.CO;2-Z

By:

Chen, P. C.

Publication type:

Article

Discrete variable representation method applied to the determination of rotation-vibration bound states of NO.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 199, doi. 10.1002/(SICI)1097-461X(1997)62:2<199::AID-QUA8>3.0.CO;2-R

By:

Vilanove, H.;
Jacon, M.

Publication type:

Article

Time-evolution operator for a forced parametric oscillator.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 125, doi. 10.1002/(SICI)1097-461X(1997)62:2<125::AID-QUA1>3.0.CO;2-Y

By:

A., José Récamier;
Jáuregui, Rocío

Publication type:

Article

Electron reorganization in chemical reactions: Pair population analysis along concerted reaction path of allowed and forbidden pericyclic reactions.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 171, doi. 10.1002/(SICI)1097-461X(1997)62:2<171::AID-QUA5>3.0.CO;2-T

By:

Ponec, Robert

Publication type:

Article

Implementation of gradient formulas for correlated gaussians: He,.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 223, doi. 10.1002/(SICI)1097-461X(1997)62:2<223::AID-QUA10>3.0.CO;2-C

By:

Kinghorn, Donald B.;
Poshusta, R. D.

Publication type:

Article

On alternant molecules with identical energy spectra: Isospectral molecules.

Published in:

International Journal of Quantum Chemistry, 1996, v. 62, n. 2, p. 167, doi. 10.1002/(SICI)1097-461X(1997)62:2<167::AID-QUA4>3.0.CO;2-U

By:

Tyutyulkov, N.;
Dietz, F.;
Olbrich, G.

Publication type:

Article