Works matching IS 00207608 AND DT 1995 AND VI 56 AND IP 6

Results: 24

Maximum-entropy analysis of atomic compton profiles.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 747, doi. 10.1002/qua.560560610

By:

Angulo, J. C.;
Yáñez, R. J.;
Antolín, J.;
Zarzo, A.

Publication type:

Article

Density functional theory of the collective electronic excitations in Na.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 839, doi. 10.1002/qua.560560621

By:

Bol, A.;
Alonso, J. A.;
López, J. M.

Publication type:

Article

Self consistent reaction field theory of solvent effects in the framework of Gaussian density functional method.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 663, doi. 10.1002/qua.560560603

By:

Mineva, Tzonka;
Russo, Nino;
Toscano, Marirosa

Publication type:

Article

On the electronic structure of transition-metal oxide cations:.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 779, doi. 10.1002/qua.560560614

By:

Broclawik, Ewa

Publication type:

Article

Proton transfer in small model systems: A density functional study.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 697, doi. 10.1002/qua.560560607

By:

Barone, Vincenzo;
Orlandini, Laura;
Adamo, Carlo

Publication type:

Article

A model for the charge capacity of 1 T-TiS.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 819, doi. 10.1002/qua.560560618

By:

Mendizabal, Fernando;
Contreras, Renato;
Aizman, Arie

Publication type:

Article

Direct calculations of charge densities of solids: Applications to the alkali-earth sulfides.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 831, doi. 10.1002/qua.560560620

By:

Cortona, P.;
Monteleone, A. Villafiorita;
Becker, P.

Publication type:

Article

A

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 655, doi. 10.1002/qua.560560602

By:

Słupski, Romauld B.;
Wasilewski, Jan

Publication type:

Article

Density functional calculations of structures and ionization energies for heavy group V cluster anions.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 771, doi. 10.1002/qua.560560613

By:

Kaschner, R.;
Saalmann, U.;
Seifert, G.;
Gausa, M.

Publication type:

Article

Announcement.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. XI, doi. 10.1002/qua.560560624

By:

Parr, Robert G.

Publication type:

Article

Density functional study of the intershell interaction energy in carbon onions.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 689, doi. 10.1002/qua.560560606

By:

Diez, R. Pis;
Iñtiguez, M. P.

Publication type:

Article

Ab initio calculation of structural, lattice dynamical, and thermal properties of cubic silicon carbide.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 801, doi. 10.1002/qua.560560617

By:

Karch, K.;
Pavone, P.;
Windl, W.;
Strauch, D.;
Bechstedt, F.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. fmi, doi. 10.1002/qua.560560601
Publication type:: Article

Applications of some bounds to density functionals for atoms.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 763, doi. 10.1002/qua.560560612

By:

Porras, I.;
Gálvez, F. J.

Publication type:

Article

List of participants.

Published in:: International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 861, doi. 10.1002/qua.560560623
Publication type:: Article

Density functional calculation of quinone electrode potentials.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 677, doi. 10.1002/qua.560560605

By:

Reynolds, Christopher A.

Publication type:

Article

Antiferromagnetic ordering in a two-dimensional electron liquid.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 791, doi. 10.1002/qua.560560616

By:

Schweng, Herwig K.;
Böhm, Helga M.

Publication type:

Article

A density functional study of chemical reactions.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 733, doi. 10.1002/qua.560560609

By:

Andzelm, Jan;
Baker, Jon;
Scheiner, Andrew;
Wrinn, Michael

Publication type:

Article

Comparison of the performance of various gradient-corrected exchange and correlation functionals in density functional theory: Case studies of CO and N.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 753, doi. 10.1002/qua.560560611

By:

Chermette, H.;
Lembarki, A.;
Gulbinat, P.;
Weber, J.

Publication type:

Article

Nonlocal density functional calculations of the jellium metal surface.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 847, doi. 10.1002/qua.560560622

By:

Jȩdrzejek, C.;
Wyżliński, A.;
Gryko, J.

Publication type:

Article

Spectroscopic constants of SiH.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 669, doi. 10.1002/qua.560560604

By:

Mineva, Tzonka;
Russo, Nino;
Sicilia, Emilia;
Toscano, Marirosa

Publication type:

Article

Full ab initio calculation of second-order Raman spectra of semiconductors.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 787, doi. 10.1002/qua.560560615

By:

Windl, W.;
Karch, K.;
Pavone, P.;
Schütt, O.;
Strauch, D.

Publication type:

Article

Time-dependent quantum fluid dynamics of the photoionization of the He atom under an intense laser field.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 707, doi. 10.1002/qua.560560608

By:

Dey, Bijoy Kr.;
Deb, B. M.

Publication type:

Article

Ground-state energies of atomic chains in superstrong magnetic fields.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. 6, p. 825, doi. 10.1002/qua.560560619

By:

Relovsky, B. M.;
Ruder, H.

Publication type:

Article