International Journal of Quantum Chemistry

Cover image for Vol. 112 Issue 6

15 March 2012

Volume 112, Issue 6

Pages 1537–1758

  1. Theoretical and Computational Developments

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    6. Erratum
    1. A CASSCF/CASPT2 study on the low-lying electronic states of the CH3SS and its cation (pages 1537–1546)

      Ming-Xing Song, Zeng-Xia Zhao, Wei Zhang, Fu-Quan Bai, Hong-Xing Zhang and Chia-Chung Sun

      Version of Record online: 31 MAY 2011 | DOI: 10.1002/qua.23102

    2. A new estimate on the indirect Coulomb energy (pages 1579–1584)

      Rafael D. Benguria, Gonzalo A. Bley and Michael Loss

      Version of Record online: 15 JUL 2011 | DOI: 10.1002/qua.23148

    3. On the importance of orbital localization in QC-DMRG calculations (pages 1606–1619)

      Alexander O. Mitrushchenkov, Guido Fano, Roberto Linguerri and Paolo Palmieri

      Version of Record online: 29 DEC 2011 | DOI: 10.1002/qua.23173

  2. Properties, Dynamics, and Electronic Structure of Atoms and Molecules

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    6. Erratum
    1. Theoretical study on the ion–molecule reaction of NH+ with CH2O (pages 1654–1666)

      Jian-Chao Song, Hui-Ling Liu, Zhong-Jun Zhou and Xu-Ri Huang

      Version of Record online: 11 JUL 2011 | DOI: 10.1002/qua.23044

    2. A DFT study on the structure-property relationship of aminonitropyrazole-2-oxides (pages 1667–1677)

      P. Ravi, Girish M. Gore, Arun K. Sikder and Surya P. Tewari

      Version of Record online: 16 JUN 2011 | DOI: 10.1002/qua.23150

    3. N-arylamides and N-arylcarbamates N[BOND]CO internal rotation barrier study by molecular modeling (pages 1678–1687)

      Fábio Dos Santos Grasel, Tiago Charão De Oliveira, Luiz Antonio Mazzini Fontoura, Italo José Da Cruz Rigotti and Paulo Augusto Netz

      Version of Record online: 20 JUN 2011 | DOI: 10.1002/qua.23151

  3. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    6. Erratum
    1. Leading-order behavior of the correlation energy in the uniform electron gas (pages 1712–1716)

      Pierre-François Loos and Peter M. W. Gill

      Version of Record online: 24 JUN 2011 | DOI: 10.1002/qua.23155

    2. Double icosahedron-based motif of Nin (n = 20−30) (pages 1717–1724)

      Wei Song, Wen-Cai Lu, Qing-Jun Zang, C. Z. Wang and K. M. Ho

      Version of Record online: 11 JUL 2011 | DOI: 10.1002/qua.23161

    3. Wigner crystallization of quadratically dispersing electrons in graphene (pages 1725–1736)

      Kombiah Iyakutti, Velappa Jayaraman Surya, Ratnavelu Rajeswarapalanichamy and Yoshiyuki Kawazoe

      Version of Record online: 11 JUL 2011 | DOI: 10.1002/qua.23172

  4. Theoretical Biochemistry and Biophysics

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    6. Erratum
  5. Erratum

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    6. Erratum
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