International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

2008

Volume 108, Issue 7

Pages 1209–1307

  1. Theoretical and Computational Developments

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Theoretical Biochemistry and Biophysics
    6. Comment
    1. Central moments in quantum chemistry (pages 1220–1231)

      David W. Small and Martin Head-Gordon

      Article first published online: 6 FEB 2008 | DOI: 10.1002/qua.21609

    2. Mechanism for the gas-phase reaction between OH and 3-methylfuran: A theoretical study (pages 1232–1238)

      Weichao Zhang, Benni Du, Lailong Mu and Changjun Feng

      Article first published online: 20 FEB 2008 | DOI: 10.1002/qua.21617

  2. Properties, Dynamics, and Electronic Structure of Atoms

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Theoretical Biochemistry and Biophysics
    6. Comment
  3. 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
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Theoretical Biochemistry and Biophysics
    6. Comment
    1. Isomerization of HNO to HON in the singlet state assisted by amino acid residues and/or water molecules (pages 1246–1256)

      Junyou Shi, Ping Li, Yuxiang Bu, Weihua Wang, Zhaoxia Mou and Rui Song

      Article first published online: 26 FEB 2008 | DOI: 10.1002/qua.21634

    2. Ab initio study of the photochemistry of aminopyrimidine (pages 1266–1276)

      Gunther Zechmann and Mario Barbatti

      Article first published online: 6 FEB 2008 | DOI: 10.1002/qua.21612

  4. Theoretical Biochemistry and Biophysics

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Theoretical Biochemistry and Biophysics
    6. Comment
    1. Theoretical studies on the binding models of tetramethylammonium with phenol: Cation-π and hydrogen-bond interactions (pages 1294–1303)

      Yanke Jiang, Jun Wu, Jianwei Zou, Yunxiang Lu, Guixiang Hu and Qingsen Yu

      Article first published online: 20 FEB 2008 | DOI: 10.1002/qua.21625

  5. Comment

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

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