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There are 18791 results for: content related to: Electronic Structure Theory for Small Metallic Particles

  1. Transition-Metal Atoms and Dimers

    Advances in Chemical Physics: Ab Initio Methods in Quantum Chemistry Part 2, Volume 69

    K. P. Lawley, Pages: 447–520, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470142943.ch8

  2. Recent applications of the SCF-Xα-SW method to some inorganic systems

    International Journal of Quantum Chemistry

    Volume 10, Issue S10, 19/24 January 1976, Pages: 183–191, R. P. Messmer and D. R. Salahub

    Version of Record online : 18 JUN 2009, DOI: 10.1002/qua.560100819

  3. Electronic Structures of Metal Clusters and Cluster Compounds

    Clusters and Colloids: From Theory to Applications

    Notker Rösch, Gianfranco Pacchioni, Pages: 5–88, 2007

    Published Online : 30 DEC 2007, DOI: 10.1002/9783527616077.ch2

  4. Compact basis sets for LCAO-LSD calculations. Part II: Tests for Cr2 and Ni4

    Journal of Computational Chemistry

    Volume 6, Issue 6, December 1985, Pages: 533–537, E. Radzio, J. Andzelm and D. R. Salahub

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540060605

  5. Structure and properties of small silicon and aluminum clusters

    Journal of Computational Chemistry

    Volume 9, Issue 8, December 1988, Pages: 803–809, Karl Jug, Hans-Peter Schluff, Hans Kupka and Rüdiger Iffert

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540090802

  6. Über Cellulose

    Justus Liebigs Annalen der Chemie

    Volume 435, Issue 1, 1924, Pages: 1–144, Kurt Hess, Wilhelm Weltzien and Ernst Messmer

    Version of Record online : 26 JAN 2006, DOI: 10.1002/jlac.19244350102

  7. A density functional study of the interaction of CO2 with a Pd atom

    International Journal of Quantum Chemistry

    Volume 52, Issue S28, 12/19 February 1994, Pages: 645–654, Suzanne Sirois, Miguel Castro and Dennis R. Salahub

    Version of Record online : 21 SEP 2004, DOI: 10.1002/qua.560520857

  8. Spin-orbital electronegativity, the Xα method, and reactivity at transition-metal interfaces

    International Journal of Quantum Chemistry

    Volume 12, Issue S11, 16/22 January 1977, Pages: 39–60, K. H. Johnson

    Version of Record online : 18 JUN 2009, DOI: 10.1002/qua.560120809

  9. The Development of Computational Chemistry in Canada

    Reviews in Computational Chemistry, Volume 15

    Kenny B. Lipkowitz, Donald B. Boyd, Pages: 213–299, 2007

    Published Online : 5 JAN 2007, DOI: 10.1002/9780470125922.ch4

  10. Local density studies on transition-metal clusters, surfaces, and the oxide defect state

    International Journal of Quantum Chemistry

    Volume 26, Issue S18, 1/15 March 1984, Pages: 183–193, D. E. Ellis

    Version of Record online : 16 APR 2008, DOI: 10.1002/qua.560260821

  11. New theoretical model for magnetic impurities and the kondo effect

    International Journal of Quantum Chemistry

    Volume 14, Issue S12, 12/18 March 1978, Pages: 437–439, K. H. Johnson, D. D. Vvedensky and R. P. Messmer

    Version of Record online : 18 JUN 2009, DOI: 10.1002/qua.560140837

  12. Excited-state potential energy curves from time-dependent density-functional theory: A cross section of formaldehyde's 1A1 manifold

    International Journal of Quantum Chemistry

    Volume 70, Issue 4-5, 1998, Pages: 933–941, Mark E. Casida, Kim C. Casida and Dennis R. Salahub

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1998)70:4/5<933::AID-QUA39>3.0.CO;2-Z

  13. Ab Initio Relativistic Effective Core Potential Studies of Metal–Metal and Metal–Hydrogen Bonding in Pd2, Pt2, PdH and PtH

    Israel Journal of Chemistry

    Volume 19, Issue 1-4, 1980, Pages: 233–241, Harold Basch, Drora Cohen and Sid Topiol

    Version of Record online : 20 NOV 2013, DOI: 10.1002/ijch.198000026

  14. Effects of chemisorption and alloying on the magnetism of nickel clusters

    International Journal of Quantum Chemistry

    Volume 26, Issue S18, 1/15 March 1984, Pages: 173–182, D. R. Salahub and F. Raatz

    Version of Record online : 16 APR 2008, DOI: 10.1002/qua.560260820

  15. Metal Clusters in Chemistry—Bibliography of Reviews 1988–1997

    Metal Clusters in Chemistry

    P. Braunstein, L. A. Oro, P. R. Raithby, Pages: 1711–1754, 2008

    Published Online : 26 MAR 2008, DOI: 10.1002/9783527618316.ch6

  16. NMR Chemical-Shift Anomaly and Bonding in Piano-Stool Carbonyl and Related Complexes–an Ab Initio ECP/DFT Study

    Chemistry - A European Journal

    Volume 2, Issue 3, March 1996, Pages: 348–358, Dr. Martin Kaupp

    Version of Record online : 21 JAN 2006, DOI: 10.1002/chem.19960020317

  17. Angle-Resolved Photoemission as a Tool for the Study of Surfaces

    Advances in Chemical Physics, Volume 49

    E. W. Plummer, W. Eberhardt, Pages: 533–656, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470142691.ch8

  18. Akustisches Lernen verschieden alter schallisolierter Amseln (Turdus merula L.) und die Entwicklung erlernter Motive ohne und mit künstlichem Einfluß von Testosteron

    Zeitschrift für Tierpsychologie

    Volume 17, Issue 2, January-December 1960, Pages: 211–244, Helga Thielcke-Poltz and Gerhard Thielcke

    Version of Record online : 26 APR 2010, DOI: 10.1111/j.1439-0310.1960.tb00204.x

  19. Extension of the LAP functional to include parallel spin correlation

    International Journal of Quantum Chemistry

    Volume 64, Issue 4, 1997, Pages: 427–446, E. I. Proynov, S. Sirois and D. R. Salahub

    Version of Record online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1997)64:4<427::AID-QUA5>3.0.CO;2-Y

  20. Quintet electronic states of MoO: Gaussian density functional calculations

    International Journal of Quantum Chemistry

    Volume 44, Issue S26, 14/21 March 1992, Pages: 393–399, Ewa Broclawik and Dennis R. Salahub

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560440834