International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

2005

Volume 102, Issue 3

Pages 239–351

  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. Theoretical Biochemistry and Biophysics
  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. Theoretical Biochemistry and Biophysics
    1. A theoretical investigation of the interaction between H, Li, Na, K, and fullerenes (pages 302–312)

      J. D. Santos, E. Longo, M. E. Banja, V. A. A. Espinoza and C. A. Taft

      Version of Record online: 23 NOV 2004 | DOI: 10.1002/qua.20387

    2. Chemical reaction dynamics of PeCB and TCDD decomposition: A tight-binding quantum chemical molecular dynamics study with first-principles parameterization (pages 318–327)

      Ai Suzuki, Parasuraman Selvam, Tomonori Kusagaya, Seiichi Takami, Momoji Kubo, Akira Imamura and Akira Miyamoto

      Version of Record online: 29 NOV 2004 | DOI: 10.1002/qua.20396

  3. Theoretical Biochemistry and Biophysics

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Theoretical Biochemistry and Biophysics
    1. Role of the electronic properties of azurin active site in the electron-transfer process (pages 328–342)

      Stefano Corni, Francesca De Rienzo, Rosa Di Felice and Elisa Molinari

      Version of Record online: 23 NOV 2004 | DOI: 10.1002/qua.20374

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