International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Proceedings of the 10th V.A. Fock School Meeting on Quantum and Computational Chemistry

2007

Volume 107, Issue 13

Pages 2293–2563

Issue edited by: Andrei L. Tchougréeff

    1. Introduction (page 2293)

      Andrei L. Tchougréeff

      Article first published online: 27 JUN 2007 | DOI: 10.1002/qua.21463

    2. Time evolution of the Neel state (pages 2320–2330)

      A. A. Soluyanov, S. N. Zagoulaev and I. V. Abarenkov

      Article first published online: 30 MAR 2007 | DOI: 10.1002/qua.21349

    3. The influence of molecular structure on the change of the arrhenius factor of gas-phase elimination of nitric acid from nitroalkanes (pages 2343–2352)

      A. F. Shamsutdinov, T. F. Shamsutdinov, D. V. Chachkov, A. G. Shamov and G. M. Khrapkovskii

      Article first published online: 18 MAY 2007 | DOI: 10.1002/qua.21394

    4. Ab initio and DFT study of La3+ hydration (pages 2353–2360)

      Vladimir Buzko, Igor Sukhno and Margarita Buzko

      Article first published online: 4 APR 2007 | DOI: 10.1002/qua.21338

    5. The study of H/D isotope-dependent order–disorder transition in crystalline α-chromous acid using quantum-chemical modeling (pages 2409–2416)

      S. P. Dolin, I. S. Flyagina, M. V. Tremasova, T. Yu. Mikhailova, A. B. Gavrilyuk and A. A. Levin

      Article first published online: 25 JUN 2007 | DOI: 10.1002/qua.21406

    6. Swift hopping gallium over [AlO4] tetrahedra in Ga/ZSM-5: A DFT study (pages 2434–2441)

      Ilya V. Kusmin, Georgy M. Zhidomirov and Vitaly N. Solkan

      Article first published online: 30 MAR 2007 | DOI: 10.1002/qua.21339

    7. Structure and relative energies of regioisomers and valence isomers of C60 adducts. HF and DFT study (pages 2442–2453)

      Vladislav V. Zverev, Valeriy I. Kovalenko, Irina P. Romanova and Oleg G. Sinyashin

      Article first published online: 1 MAY 2007 | DOI: 10.1002/qua.21373

    8. A quantum-chemical study of n-butane and of butane cation radical (pages 2489–2493)

      Guzel G. Garifzianova, Roman V. Tsyshevskii, Alexander G. Shamov and Grigorii M. Khrapkovskii

      Article first published online: 11 MAY 2007 | DOI: 10.1002/qua.21405

    9. Computed structures and relative stabilities of Be@C74 (pages 2494–2498)

      Zdeněk Slanina, Filip Uhlík, Shyi-Long Lee, Ludwik Adamowicz and Shigeru Nagase

      Article first published online: 4 APR 2007 | DOI: 10.1002/qua.21344

    10. The electronic structure of molybdenum (II) clusters with chelate ligands (pages 2507–2518)

      Sergei N. Yusha, Alexander A. Projavkin, Ilia A. Dementyev, Andrei O. Kozin and Dmitry V. Korolkov

      Article first published online: 18 MAY 2007 | DOI: 10.1002/qua.21381

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