Works matching IS 00207608 AND DT 1996 AND VI 63 AND IP 3

Results: 19

Some cluster and condensed-phase properties of light elements: B to P.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 695, doi. 10.1002/(SICI)1097-461X(1997)63:3<695::AID-QUA11>3.0.CO;2-4

By:

March, N. H.

Publication type:

Article

Semiempirical calculations on WO.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 729, doi. 10.1002/(SICI)1097-461X(1997)63:3<729::AID-QUA14>3.0.CO;2-#

By:

Stashans, Arvids;
Lunell, Sten

Publication type:

Article

Long-range electronic interactions in androstanediones.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 797, doi. 10.1002/(SICI)1097-461X(1997)63:3<797::AID-QUA19>3.0.CO;2-1

By:

Klasinc, Leo;
Paša-Tolić, Ljiljana;
Vikić-Topić, Dražen;
Knop, Jan V.;
McGlynn, Sean P.

Publication type:

Article

An ab initio investigation of the electronic structure of lithium azide (LiN.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 615, doi. 10.1002/(SICI)1097-461X(1997)63:3<615::AID-QUA2>3.0.CO;2-Z

By:

Younk, Edward H.;
Kunz, A. Barry

Publication type:

Article

Spectral densities of infinite systems with strong electron correlations.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 645, doi. 10.1002/(SICI)1097-461X(1997)63:3<645::AID-QUA6>3.0.CO;2-W

By:

Fulde, Peter;
Unger, Patrick;
Igarashi, Jun-Ichi

Publication type:

Article

Electrostatic model calculations on multiple adsorption at NaCl surfaces.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 685, doi. 10.1002/(SICI)1097-461X(1997)63:3<685::AID-QUA10>3.0.CO;2-4

By:

Jug, Karl;
Schmidt, André M.;
Gerwens, Heiko

Publication type:

Article

The problem of small negatively ionized water clusters.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 737, doi. 10.1002/(SICI)1097-461X(1997)63:3<737::AID-QUA15>3.0.CO;2-1

By:

Novakovskaya, Yulia V.;
Stepanov, Nikolai F.

Publication type:

Article

An examination of the electronic structure and spectroscopy of high- and low-spin model ferredoxin via several SCF and CI techniques.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 781, doi. 10.1002/(SICI)1097-461X(1997)63:3<781::AID-QUA18>3.0.CO;2-7

By:

Cory, Marshall G.;
Stavrev, Krassimir K.;
Zerner, Michael C.

Publication type:

Article

Analysis of long-range effects in many-body correlation approaches for one-dimensional periodic systems.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 601, doi. 10.1002/(SICI)1097-461X(1997)63:3<601::AID-QUA1>3.0.CO;2-#

By:

Nooijen, Marcel;
Bartlett, Rodney J.

Publication type:

Article

Bond alternation in carbon nanotubes including σ-electrons.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 637, doi. 10.1002/(SICI)1097-461X(1997)63:3<637::AID-QUA5>3.0.CO;2-X

By:

Tanaka, Kazuyoshi;
Ago, Hiroki;
Yamabe, Tokio;
Okahara, Kenji;
Okada, Mayumi

Publication type:

Article

Off-diagonal long-range order, η-pairing, and Friedel oscillations in high T.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 675, doi. 10.1002/(SICI)1097-461X(1997)63:3<675::AID-QUA9>3.0.CO;2-T

By:

Dunne, Lawrence J.;
Murrell, John N.;
Brändas, Erkki J.

Publication type:

Article

Density of states of alternant cyclic polyenes (CH).

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 719, doi. 10.1002/(SICI)1097-461X(1997)63:3<719::AID-QUA13>3.0.CO;2-#

By:

Karlsson, H. O.;
Bendazzoli, G. L.;
Goscinski, O.;
Evangelisti, S.

Publication type:

Article

On the structure and activity of membrane receptors: A computational simulation of ligand-triggered activation in a model 5-HT.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 767, doi. 10.1002/(SICI)1097-461X(1997)63:3<767::AID-QUA17>3.0.CO;2-1

By:

Pardo, Leonardo;
Weinstein, Harel

Publication type:

Article

Correlation-corrected energy band (level) structures of low-dimensional systems.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 631, doi. 10.1002/(SICI)1097-461X(1997)63:3<631::AID-QUA4>3.0.CO;2-X

By:

Ladik, Janos J.

Publication type:

Article

Different orbitals for different electrons in a system of intersecting quantum wires.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 667, doi. 10.1002/(SICI)1097-461X(1997)63:3<667::AID-QUA8>3.0.CO;2-U

By:

Berggren, Karl-Fredrik;
Wang, Chuan-Kui

Publication type:

Article

Assembly and decomposition of building blocks to analyze polymer NEXAFS spectra.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 749, doi. 10.1002/(SICI)1097-461X(1997)63:3<749::AID-QUA16>3.0.CO;2-#

By:

Pettersson, Lars G. M.;
Ågren, Hans;
Schürmann, Britta L.;
Lippitz, Andreas;
Unger, Wolfgang E. S.

Publication type:

Article

Core-level shifts and their relation to surface effects and dimensionality of a system.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 623, doi. 10.1002/(SICI)1097-461X(1997)63:3<623::AID-QUA3>3.0.CO;2-Y

By:

Seel, M.

Publication type:

Article

Conductivity in polyacetylene. VI. Semiconductor-Metal transition of alkali-doped polymer.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 655, doi. 10.1002/(SICI)1097-461X(1997)63:3<655::AID-QUA7>3.0.CO;2-V

By:

Larsson, Sven;
Rodriguez-Monge, Lucia

Publication type:

Article

Numerical study of the exchange effects in the valence and core energy bands of the metallic lithium chain.

Published in:

International Journal of Quantum Chemistry, 1996, v. 63, n. 3, p. 709, doi. 10.1002/(SICI)1097-461X(1997)63:3<709::AID-QUA12>3.0.CO;2-#

By:

Flamant, I.;
Delhalle, J.;
Fripiat, J. G.

Publication type:

Article