International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

2006

Volume 106, Issue 4

Pages 773–1026

  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
    1. Bound states of helium atom in dense plasmas (pages 814–822)

      Sabyasachi Kar and Y. K. Ho

      Version of Record online: 4 NOV 2005 | DOI: 10.1002/qua.20822

    2. Atomic branching in molecules (pages 823–832)

      Ernesto Estrada, Juan A. Rodríguez-Velázquez and Milan Randić

      Version of Record online: 1 NOV 2005 | DOI: 10.1002/qua.20850

    3. Quantum wave packet study of N(2D) + H2 reactive scattering (pages 833–838)

      Fahrettin Gogtas and Niyazi Bulut

      Version of Record online: 31 OCT 2005 | DOI: 10.1002/qua.20846

  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
    1. Alkylation of enolates: An electrophilicity perspective (pages 852–862)

      M. Elango, R. Parthasarathi, V. Subramanian and P. K. Chattaraj

      Version of Record online: 6 OCT 2005 | DOI: 10.1002/qua.20844

    2. Theoretical investigation of the decomposition of acyl azides: Molecular orbital treatment (pages 863–875)

      Rafie H. Abu-Eittah, Adel A. Mohamed and Ahmed M. Al-Omar

      Version of Record online: 31 OCT 2005 | DOI: 10.1002/qua.20792

    3. Theoretical studies of structural and electronic properties of AlnAsn clusters (pages 887–893)

      Biplab Goswami, Chanchal Ghosh, Sougata Pal and Pranab Sarkar

      Version of Record online: 30 SEP 2005 | DOI: 10.1002/qua.20820

    4. Theoretical study of the mechanism of CH2CO + CN reaction (pages 894–905)

      Hao Sun, Hong-Qing He, Bo Hong, Ying-Fei Chang, Zhe An and Rong-Shun Wang

      Version of Record online: 3 OCT 2005 | DOI: 10.1002/qua.20780

  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
    1. Electronic structure and stability of BP clusters: theoretical calculations for (BP)n (n = 2–4) (pages 960–967)

      Yuhui Qu, Wanyong Ma, Xiufang Bian, Hongwei Tang and Weixing Tian

      Version of Record online: 30 SEP 2005 | DOI: 10.1002/qua.20818

    2. Semiempirical hyperspherical model for 4HeN clusters (pages 981–985)

      Lawrence L. Lohr and S. M. Blinder

      Version of Record online: 31 OCT 2005 | DOI: 10.1002/qua.20845

    3. Quasi-classical fluctuation–dissipation description of dielectric loss in oxides with implications for quantum information processing (pages 986–993)

      Lawrence J. Dunne, Anna-Karin Axelsson, Neil McN. Alford, Jonathan Breeze, Xavi Aupi and Erkki J. Brändas

      Version of Record online: 3 OCT 2005 | DOI: 10.1002/qua.20789

    4. Charge-induced modulation of magnetic interactions in a [2 × 2] metal-organic grid complex (pages 994–1000)

      C. Romeike, M. R. Wegewijs, W. Wenzel, M. Ruben and H. Schoeller

      Version of Record online: 31 OCT 2005 | DOI: 10.1002/qua.20824

  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

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