International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Proceedings from the Eleventh European Workshop on Quantum Systems in Chemistry and Physics

2007

Volume 107, Issue 14

Pages 2565–2985

Issue edited by: Oleg Vasyutinskii, Jean Maruani, Piotr Piecuch, Gerardo Delgado-Barrio, Stephen Wilson

    1. Preface (pages 2565–2566)

      Version of Record online: 8 AUG 2007 | DOI: 10.1002/qua.21519

    2. You have free access to this content
  1. Advanced Methodologies for Molecular Systems

    1. Top of page
    2. Advanced Methodologies for Molecular Systems
    3. Molecular Spectroscopy and Dynamics
    4. Ionized Atoms and Dimers
    5. Clusters, Fullerenes and Condensed Matter
    6. Review
  2. Molecular Spectroscopy and Dynamics

    1. Top of page
    2. Advanced Methodologies for Molecular Systems
    3. Molecular Spectroscopy and Dynamics
    4. Ionized Atoms and Dimers
    5. Clusters, Fullerenes and Condensed Matter
    6. Review
    1. Franck–Condon factors for molecules observed in comets (pages 2650–2653)

      A. Palma, L. Sandoval, K. Churyumov, V. Chavushyan and A. Berezhnoy

      Version of Record online: 26 JUL 2007 | DOI: 10.1002/qua.21467

    2. Radiative transition probabilities of CO2+ (pages 2654–2664)

      Tereza Šedivcová-Uhlíková, Petra R. Kaprálová-Žďánská and Vladimír Špirko

      Version of Record online: 23 JUL 2007 | DOI: 10.1002/qua.21448

    3. Comparison of charge transfer recombination of (3s2 3p) third row S3+ and P2+ ions with H (pages 2672–2678)

      M. C. Bacchus-Montabonel, M. Łabuda and Y. S. Tergiman

      Version of Record online: 11 JUL 2007 | DOI: 10.1002/qua.21461

    4. Non–Born–Oppenheimer calculations of the ground state of H3 (pages 2679–2686)

      Mauricio Cafiero and Ludwik Adamowicz

      Version of Record online: 17 MAY 2007 | DOI: 10.1002/qua.21412

    5. Alkyl peroxides: Effect of substituent groups on the torsional mode around the O[BOND]O bond (pages 2697–2707)

      Glauciete S. Maciel, Ana Carla P. Bitencourt, Mirco Ragni and Vincenzo Aquilanti

      Version of Record online: 13 JUL 2007 | DOI: 10.1002/qua.21462

  3. Ionized Atoms and Dimers

    1. Top of page
    2. Advanced Methodologies for Molecular Systems
    3. Molecular Spectroscopy and Dynamics
    4. Ionized Atoms and Dimers
    5. Clusters, Fullerenes and Condensed Matter
    6. Review
    1. Atomic structure under external confinements: Effect of plasma (pages 2708–2715)

      A. N. Sil, S. Bhattacharyya and P. K. Mukherjee

      Version of Record online: 17 MAY 2007 | DOI: 10.1002/qua.21408

    2. Study of the effect of metal ions on hydroxyl–containing molecules (pages 2730–2740)

      C. Kozmutza, F. Bartha, L. Udvardi and I. Varga

      Version of Record online: 23 JUL 2007 | DOI: 10.1002/qua.21468

  4. Clusters, Fullerenes and Condensed Matter

    1. Top of page
    2. Advanced Methodologies for Molecular Systems
    3. Molecular Spectroscopy and Dynamics
    4. Ionized Atoms and Dimers
    5. Clusters, Fullerenes and Condensed Matter
    6. Review
    1. Exact and quantum chemistry-like calculations in helium doped clusters: The He2Br2(X) example (pages 2756–2762)

      O. Roncero, R. Pérez de Tudela, M. P. de Lara-Castells, R. Prosmiti, G. Delgado-Barrio and P. Villarreal

      Version of Record online: 9 MAY 2007 | DOI: 10.1002/qua.21380

    2. Photoabsorption of the fullerene ions Cmath image and Cmath image (pages 2781–2786)

      A. K. Belyaev, V. K. Ivanov, R. G. Polozkov, A. S. Tiukanov, A. V. Solovyov and W. Greiner

      Version of Record online: 16 JUL 2007 | DOI: 10.1002/qua.21435

    3. Optical spectra and covalent chemistry of fulleropyrrolidines (pages 2787–2802)

      B. S. Razbirin, A. N. Starukhin, D. K. Nelson, E. F. Sheka and M. Prato

      Version of Record online: 29 MAY 2007 | DOI: 10.1002/qua.21391

    4. Size and charge effects on the deposition of Na on Ar clusters (pages 2828–2837)

      P. M. Dinh, F. Fehrer, P.-G. Reinhard and E. Suraud

      Version of Record online: 26 JUL 2007 | DOI: 10.1002/qua.21466

    5. Possible properties of positron states in physics and chemistry of a surface and in semiconductor nanotechnologies (pages 2844–2848)

      V. I. Grafutin, E. P. Svetlov-Prokop'Ev, S. P. Timoshenkov, V. V. Kalugin and E. I. Artemov

      Version of Record online: 6 AUG 2007 | DOI: 10.1002/qua.21465

  5. Review

    1. Top of page
    2. Advanced Methodologies for Molecular Systems
    3. Molecular Spectroscopy and Dynamics
    4. Ionized Atoms and Dimers
    5. Clusters, Fullerenes and Condensed Matter
    6. Review
    1. Doped helium clusters analyzed through quantum chemistry methods (pages 2902–2921)

      M. P. de Lara–Castells, R. Prosmiti, D. López–Durán, G. Delgado–Barrio, P. Villarreal, F. A. Gianturco and J. Jellinek

      Version of Record online: 18 JUN 2007 | DOI: 10.1002/qua.21446

    2. The magic gold cluster Au20 (pages 2922–2934)

      E. S. Kryachko and F. Remacle

      Version of Record online: 9 AUG 2007 | DOI: 10.1002/qua.21504

    3. Periodic models in quantum chemical simulations of F centers in crystalline metal oxides (pages 2956–2985)

      Yuri F. Zhukovskii, Eugene A. Kotomin, Robert A. Evarestov and Donald E. Ellis

      Version of Record online: 9 AUG 2007 | DOI: 10.1002/qua.21483

SEARCH

SEARCH BY CITATION