Works matching IS 00207608 AND DT 1999 AND VI 71 AND IP 1

Results: 11

Molecular shape, shape of the geometrically active atomic states, and hybridization.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 25, doi. 10.1002/(SICI)1097-461X(1999)71:1<25::AID-QUA3>3.0.CO;2-#

By:

Komninos, Yannis;
Nicolaides, Cleanthes A.

Publication type:

Article

Compton profiles and polarizability as two similar probes of the electronic structure of 14 electron diatomic molecules: An ab initio study.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 63, doi. 10.1002/(SICI)1097-461X(1999)71:1<63::AID-QUA7>3.0.CO;2-Q

By:

Mérawa, Mohammadou;
Rérat, Michel;
Lichanot, Albert

Publication type:

Article

A quantum-mechanical study of oxidized oligopyrroles.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 101, doi. 10.1002/(SICI)1097-461X(1999)71:1<101::AID-QUA10>3.0.CO;2-Z

By:

Tamm, Tarmo;
Tamm, Jüri;
Karelson, Mati

Publication type:

Article

Classical four-body problem in hyperspherical coordinates.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 15, doi. 10.1002/(SICI)1097-461X(1999)71:1<15::AID-QUA2>3.0.CO;2-3

By:

Cadilhe, M. W.;
Soares Neto, J. J.

Publication type:

Article

Semiempirical studies of ring twisting in cis-stilbene and related biomolecules.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 57, doi. 10.1002/(SICI)1097-461X(1999)71:1<57::AID-QUA6>3.0.CO;2-I

By:

Monaco, Regina R.;
Gardiner, William C.;
Kirschner, Stephen

Publication type:

Article

Evaluation of integrals over STOs on different centers and the complementary convergence characteristics of ellipsoidal-coordinate and zeta-function expansions.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 1, doi. 10.1002/(SICI)1097-461X(1999)71:1<1::AID-QUA1>3.0.CO;2-6

By:

Kennedy, H. L.;
Zhao, Y.

Publication type:

Article

Reaction pathways for model II-VI precursors: A computational study.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 47, doi. 10.1002/(SICI)1097-461X(1999)71:1<47::AID-QUA5>3.0.CO;2-M

By:

Cundari, Thomas R.;
Fu, Wentao

Publication type:

Article

Coherent positronium molecule Ps.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 83, doi. 10.1002/(SICI)1097-461X(1999)71:1<83::AID-QUA9>3.0.CO;2-I

By:

Ikegami, Hidetsugu

Publication type:

Article

Complete one- and two-center partitioning scheme for the total energy in the Hartree-Fock theory.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 35, doi. 10.1002/(SICI)1097-461X(1999)71:1<35::AID-QUA4>3.0.CO;2-W

By:

Ichikawa, Hiroshi;
Yoshida, Atsushi

Publication type:

Article

Collisional reorientation of symmetric-top molecules in stark fields.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 75, doi. 10.1002/(SICI)1097-461X(1999)71:1<75::AID-QUA8>3.0.CO;2-G

By:

Hu, Wan-Ping;
Harris, Sean A.;
Harland, Peter W.;
Phillips, Leon F.

Publication type:

Article

Application of the field-theoretic method of Bohm and Pines to a study of the metal-insulator transition in doped dielectric media.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 1, p. 111, doi. 10.1002/(SICI)1097-461X(1999)71:1<111::AID-QUA11>3.0.CO;2-T

By:

Dunne, Lawrence J.

Publication type:

Article