International Journal of Quantum Chemistry

Cover image for Vol. 111 Issue 12

October 2011

Volume 111, Issue 12

Pages 2727–3253

  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 Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics and Electronic Structure of Atoms and Molecules
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    10. Properties, Dynamics and Electronic Structure of Atoms and Molecules
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    12. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
    1. Using neural networks to solve nonlinear differential equations in atomic and molecular physics (pages 2732–2740)

      C. Caetano, J. L. Reis Jr., J. Amorim, M. Ruv Lemes and A. Dal Pino Jr.

      Article first published online: 18 MAY 2010 | DOI: 10.1002/qua.22572

    2. MRCI investigations on dissociation energy and molecular constants of BCl(X1Σ+) radical (pages 2825–2834)

      De-Heng Shi, Hui Liu, Xiao-Niu Zhang, Jin-Feng Sun, Yu-Fang Liu and Zun-Lue Zhu

      Article first published online: 6 OCT 2010 | DOI: 10.1002/qua.22699

  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 Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
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    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
  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 and Molecules
    4. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
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    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
    1. Theoretical study on the reactions of Nb and Nb+ with CO2 in gas phase (pages 2898–2909)

      De-Man Han, Guo-Liang Dai, Hao Chen, Yong Wang, Ai-Guo Zhong, Cai-Ping Lin and Dan Chen

      Article first published online: 18 MAY 2010 | DOI: 10.1002/qua.22580

  4. 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 Atoms and Molecules
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    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
    1. The DFT study on mechanisms for NCO with C2H5 reaction (pages 2922–2930)

      Ya-Ru Pan, Yi-Zhen Tang, Jing-Yu Sun, Hao Sun and Rong-Shun Wang

      Article first published online: 26 OCT 2010 | DOI: 10.1002/qua.22589

  5. 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 Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
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    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
  6. 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 Atoms and Molecules
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    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
  7. 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 Atoms and Molecules
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    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
  8. 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 Atoms and Molecules
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    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
  9. 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 Atoms and Molecules
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    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
    1. N[BOND]H···S and S[BOND]H···N intramolecular hydrogen bond in β-thioaminoacrolein: A quantum chemical study (pages 3008–3016)

      A. Nowroozi, H. Roohi, M. Poorsargol, P. Mohammadzadeh Jahani, H. Hajiabadi and H. Raissi

      Article first published online: 10 JUN 2010 | DOI: 10.1002/qua.22615

  10. 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
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    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
    1. Glyoxal oligomers: A computational study (pages 3057–3069)

      Mohammad Solimannejad, Shokofeh Massahi and Ibon Alkorta

      Article first published online: 8 JUL 2010 | DOI: 10.1002/qua.22652

  11. Properties, Dynamics and Electronic Structure of Atoms and Molecules

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    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
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    13. Properties, Dynamics and Electronics Structure of Atoms and Molecules
    14. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
  12. Properties, Dynamics and Electronics Structure of Atoms and Molecules

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
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    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
  13. Properties, Dynamics, and Electronic Structure of Atoms and Molecules

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    15. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
  14. Properties, Dynamics and Electronic Structure of Atoms and Molecules

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    18. Theoretical Biochemistry and Biophysics
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  15. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters

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    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
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    18. Theoretical Biochemistry and Biophysics
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  16. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters

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    18. Theoretical Biochemistry and Biophysics
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    20. Erratum
    1. Computational chemistry and molecular simulations of phosphoric acid (pages 3212–3229)

      Shuo Li, J. R. Fried, Jeremy Sauer, John Colebrook and Douglas S. Dudis

      Article first published online: 22 SEP 2010 | DOI: 10.1002/qua.22702

  17. Theoretical Biochemistry and Biophysics

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    2. Theoretical and Computational Developments
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    16. Properties, Dynamics and Electronic Structure of Condensed Systems and Clusters
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    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
  18. Book Reviews

    1. Top of page
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    17. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    18. Theoretical Biochemistry and Biophysics
    19. Book Reviews
    20. Erratum
    1. Book Review (page 3251)

      Lou Massa

      Article first published online: 18 AUG 2010 | DOI: 10.1002/qua.22892

  19. Erratum

    1. Top of page
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    18. Theoretical Biochemistry and Biophysics
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    1. You have free access to this content
      Erratum: Ring signatures for benzenoids with up to seven rings, Part 1: Catacondensed systems (pages 3252–3253)

      Milan Randić and Alexandru T. Balaban

      Article first published online: 16 NOV 2010 | DOI: 10.1002/qua.22550

      This article corrects:

      Ring signatures for benzenoids with up to seven rings, Part 1: Catacondensed systems

      Vol. 108, Issue 5, 865–897, Article first published online: 7 JAN 2008

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