International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

2006

Volume 106, Issue 9

Pages 1979–2169

  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. Book Review
    1. Auxiliary functions for molecular integrals with Slater-type orbitals. I. Translation methods (pages 1986–1997)

      J. J. Fernández, R. López, I. Ema, G. Ramírez and J. Fernández Rico

      Article first published online: 27 MAR 2006 | DOI: 10.1002/qua.21002

    2. A graphical method to construct a phylogenetic tree (pages 1998–2005)

      Weiping Wang, Bo Liao, Tianming Wang and Wen Zhu

      Article first published online: 27 MAR 2006 | DOI: 10.1002/qua.21001

    3. Multi-channel coupling effects for electronic excitations leading to the b3math image, a3math image, and c3u states of H2 (pages 2006–2013)

      A. M. A. Taveira, L. M. Brescansin, A. M. Machado and M.-T. Lee

      Article first published online: 27 MAR 2006 | DOI: 10.1002/qua.21006

    4. MO-LCAO approach and ab initio computations (pages 2014–2025)

      Giuseppe Del Re and Amedeo Capobianco

      Article first published online: 22 MAR 2006 | DOI: 10.1002/qua.20971

  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. Book Review
    1. Löwdin population analysis with and without rotational invariance (pages 2065–2072)

      George Bruhn, Ernest R. Davidson, Istvan Mayer and Aurora E. Clark

      Article first published online: 17 MAR 2006 | DOI: 10.1002/qua.20981

    2. DFT calculations of the ionization potentials and electron affinities of serinamide (pages 2073–2081)

      Jinfeng Lu, Songling Zhu, Zhengyu Zhou, Qunyan Wu and Gang Zhao

      Article first published online: 13 MAR 2006 | DOI: 10.1002/qua.20918

    3. Theoretical study of the reaction mechanism of proton transfer in glycinamide (pages 2082–2089)

      Liqun Zhang, Zhengyu Zhou, Dongmei Du and Pei Yuan

      Article first published online: 13 MAR 2006 | DOI: 10.1002/qua.20924

  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. Book Review
    1. Effects of Lagrangian multipliers on SWCNT in real space (pages 2100–2106)

      N. Sünel, E. RIzaoǧlu, K. Harigaya and O. Özsoy

      Article first published online: 22 MAR 2006 | DOI: 10.1002/qua.20994

  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. Book Review
    1. Computational study of some benzamidine-based inhibitors of thrombin-like snake venom proteinases (pages 2107–2121)

      Elsa S. Henriques, Marco A. C. Nascimento and Maria João Ramos

      Article first published online: 21 MAR 2006 | DOI: 10.1002/qua.20999

    2. Kinetics and structural aspects of the cisplatin interactions with guanine: A quantum mechanical description (pages 2129–2144)

      Luiz Antônio S. Costa, Trevor W. Hambley, Willian R. Rocha, Wagner B. De Almeida and Hélio F. Dos Santos

      Article first published online: 13 MAR 2006 | DOI: 10.1002/qua.20979

  5. Book Review

    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. Book Review
    1. Book review (page 2169)

      Erik Deumens

      Article first published online: 13 MAR 2006 | DOI: 10.1002/qua.20972

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