International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

2008

Volume 108, Issue 3

Pages 415–616

  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. Decomposition of deformation density into orbital components (pages 415–422)

      A. H. Pakiari, S. Fakhraee and S. M. Azami

      Version of Record online: 20 SEP 2007 | DOI: 10.1002/qua.21453

    2. Theoretical study of hydrogen-bonded complexes of benzene with hydrides of astrochemical interest (pages 423–429)

      M. Nait Achour, M. R. Belmecheri, G. Berthier and R. Savinelli

      Version of Record online: 1 OCT 2007 | DOI: 10.1002/qua.21534

    3. The symmetry group of nonrigid tetramethylsilane (pages 440–446)

      Mohammad Reza Darafsheh, Ali Reza Ashrafi and Arash Darafsheh

      Version of Record online: 10 OCT 2007 | DOI: 10.1002/qua.21509

    4. Kinetics of decomposition pathways of an energetic GZT molecule (pages 482–486)

      Min-Hsien Liu, Sou-Ro Cheng, Ken-Fa Cheng and Cheng Chen

      Version of Record online: 26 SEP 2007 | DOI: 10.1002/qua.21523

    5. Kirchhoff index of linear hexagonal chains (pages 503–512)

      Yujun Yang and Heping Zhang

      Version of Record online: 3 OCT 2007 | DOI: 10.1002/qua.21537

  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. Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity (pages 513–520)

      Rafael Y. O. Moreira, Davi S. B. Brasil, Cláudio N. Alves, Giselle M. S. P. Guilhon, Lourivaldo S. Santos, Mara S. P. Arruda, Adolfo H. Müller, Patrícia S. Barbosa, Alcicley S. Abreu, Edilene O. Silva, Victor M. Rumjanek, Jaime Souza Jr., Albérico B. F. da Silva and Regina H. de A. Santos

      Version of Record online: 3 OCT 2007 | DOI: 10.1002/qua.21355

  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. The effect of methyl group on the cooperativity between three types of hydrogen bond: O[BOND]H···O, C[BOND]H···O, and O[BOND]H···π (pages 558–566)

      Qingzhong Li, Xiulin An, Feng Luan, Wenzou Li, Baoan Gong, Jianbo Cheng and Jiazhong Sun

      Version of Record online: 2 OCT 2007 | DOI: 10.1002/qua.21531

  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. Solvation of excess electrons trapped in charge pockets on hydrated molecular surfaces (pages 567–575)

      Abraham F. Jalbout, Flavio Contreras-Torres and R. Del Castillo

      Version of Record online: 26 SEP 2007 | DOI: 10.1002/qua.21377

    2. Formation of simple organic molecules in the interstellar medium (pages 598–606)

      Abraham F. Jalbout, Flavio F. Contreras-Torres and Aned De Leon

      Version of Record online: 26 SEP 2007 | DOI: 10.1002/qua.21533

    3. Periodicity in proton conduction along a H-bonded chain. Application to biomolecules (pages 607–616)

      Alexander Isaev, Tapas Kar and Steve Scheiner

      Version of Record online: 1 OCT 2007 | DOI: 10.1002/qua.21532

      Corrected by:

      Erratum: Erratum: Periodicity in proton conduction along a H-bonded chain. Application to biomolecules

      Vol. 110, Issue 5, 1136, Version of Record online: 2 APR 2009

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