International Journal of Quantum Chemistry

Cover image for Vol. 112 Issue 15

5 August 2012

Volume 112, Issue 15

Pages 2691–2766

  1. Full Papers

    1. Top of page
    2. Full Papers
    3. Full Paper
    4. Full Papers
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Full Papers
    7. Book Reviews
    8. Corrigendum
  2. Full Paper

    1. Top of page
    2. Full Papers
    3. Full Paper
    4. Full Papers
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Full Papers
    7. Book Reviews
    8. Corrigendum
  3. Full Papers

    1. Top of page
    2. Full Papers
    3. Full Paper
    4. Full Papers
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Full Papers
    7. Book Reviews
    8. Corrigendum
  4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules

    1. Top of page
    2. Full Papers
    3. Full Paper
    4. Full Papers
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Full Papers
    7. Book Reviews
    8. Corrigendum
    1. Theoretical study of the electronic structure of LiX and NaX (X = Rb, Cs) molecules (pages 2724–2734)

      Riadh Dardouri, Khaled Issa, Brahim Oujia and Florent Xavier Gadéa

      Version of Record online: 29 DEC 2011 | DOI: 10.1002/qua.23295

  5. Full Papers

    1. Top of page
    2. Full Papers
    3. Full Paper
    4. Full Papers
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Full Papers
    7. Book Reviews
    8. Corrigendum
    1. Spin quenching of Mn in complexes and CO binding with Mn deposited on MgO and CaO supports: DFT calculations (pages 2743–2751)

      Ahmad S. Shalabi, Safaa Abdel Aal, Wael S. Abdel Halim and Noha Abdullah

      Version of Record online: 6 MAR 2012 | DOI: 10.1002/qua.23209

    2. Understanding the inactivation process of organophosphorus herbicides: A DFT study of glyphosate metallic complexes with Zn2+, Ca2+, Mg2+, Cu2+, Co3+, Fe3+, Cr3+, and Al3+ (pages 2752–2762)

      Melissa S. Caetano, Teodorico C. Ramalho, Douglas F. Botrel, Elaine F. F. da Cunha and Walclee Carvalho de Mello

      Version of Record online: 29 MAR 2012 | DOI: 10.1002/qua.23222

  6. Book Reviews

    1. Top of page
    2. Full Papers
    3. Full Paper
    4. Full Papers
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Full Papers
    7. Book Reviews
    8. Corrigendum
  7. Corrigendum

    1. Top of page
    2. Full Papers
    3. Full Paper
    4. Full Papers
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Full Papers
    7. Book Reviews
    8. Corrigendum
    1. You have free access to this content
      The benchmark of gutzwiller density functional theory in hydrogen systems (page 2766)

      Y. X. Yao, C. Z. Wang and K. M. Ho

      Version of Record online: 23 FEB 2012 | DOI: 10.1002/qua.24038

      This article corrects:

      The benchmark of Gutzwiller density functional theory in hydrogen systems

      Vol. 112, Issue 1, 240–246, Version of Record online: 30 AUG 2011

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