International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

2009

Volume 109, Issue 7

Pages 1419–1616

  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. Structural, electronic, and optical properties of phenol-pyridyl boron complexes for light-emitting diodes (pages 1419–1429)

      Lu-Yi Zou, Ai-Min Ren, Ji-Kang Feng, Xue-Qin Ran, Yan-Ling Liu and Chia-Chung Sun

      Version of Record online: 4 FEB 2009 | DOI: 10.1002/qua.21993

    2. Modified version of revised Deutsch–Märk model for electron impact K-shell ionization cross-sections of atoms at relativistic energies (pages 1442–1450)

      A. K. F. Haque, M. S. I. Sarker, M. A. R. Patoary, M. Shahjahan, M. Ismail Hossain, M. Alfaz Uddin, A. K. Basak and B. C. Saha

      Version of Record online: 4 FEB 2009 | DOI: 10.1002/qua.21980

    3. Improvements in the generalized hybrid orbital method (pages 1451–1463)

      Simon Eckard and Thomas E. Exner

      Version of Record online: 4 FEB 2009 | DOI: 10.1002/qua.21973

  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. Molecular structure and vibrational assignment of α-chloro acetylacetone: A density functional theory study (pages 1481–1496)

      A. F. Jalbout, M. Ali Naseri, M. Fazli, H. Raissi, M. Rezaei, A. Nowroozi and A. de Leon

      Version of Record online: 19 FEB 2009 | DOI: 10.1002/qua.21725

    2. Intramolecular hydrogen bonding in derivatives of 3-amino-propenethial (pages 1497–1504)

      H. Raissi, A. F. Jalbout, M. Fazli, M. Yoosefian, H. Ghiassi, Z. Wang and A. de Leon

      Version of Record online: 19 FEB 2009 | DOI: 10.1002/qua.21785

    3. Hydrogen bonding in acetylacetaldehyde: Theoretical insights from the theory of atoms in molecules (pages 1505–1514)

      A. Nowroozi, A. F. Jalbout, H. Roohi, E. Khalilinia, M. Sadeghi, A. de Leon and H. Raissi

      Version of Record online: 18 FEB 2009 | DOI: 10.1002/qua.21830

  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. Periodic DFT investigation on the structure and properties of TNAD crystal (pages 1598–1608)

      Ling Qiu, Jianguo Lin, Xuehai Ju, Min Yang, Shineng Luo and Guoxian Cao

      Version of Record online: 4 FEB 2009 | DOI: 10.1002/qua.21975

  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
    1. Intramolecular hydrogen bonding in 3-imino-propenylamine: Theoretical investigations (pages 1609–1616)

      H. Raissi, A. F. Jalbout, H. Farsi, B. Abbasi, A. de Leon and S. Moghiminia

      Version of Record online: 19 FEB 2009 | DOI: 10.1002/qua.21860

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