International Journal of Quantum Chemistry

Cover image for Vol. 111 Issue 9

5 August 2011

Volume 111, Issue 9

Pages 1859–2169

  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 Atoms and Molecules
    5. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    7. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    8. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    9. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    10. Theoretical Biochemistry and Biophysics
    1. Computational study of FOX-7 synthesis in a solvated reaction system (pages 1859–1869)

      Min-Hsien Liu, Ken-Fa Cheng, Cheng Chen and Yaw-Sun Hong

      Version of Record online: 14 JAN 2010 | DOI: 10.1002/qua.22472

    2. On experimental versus theoretically calculated properties of thiadiazole derivatives (pages 1879–1884)

      Enrique Julio Vasini, María Virginia Mirífico and José Alberto Caram

      Version of Record online: 14 JAN 2010 | DOI: 10.1002/qua.22478

    3. The impact of basis set superposition error on the structure of π[BOND]π dimers (pages 1893–1901)

      Dolly Vijay, Hidehiro Sakurai and G. Narahari Sastry

      Version of Record online: 2 MAR 2010 | DOI: 10.1002/qua.22486

    4. Ab initio calculations of surface electronic states in indium oxide (pages 1902–1906)

      David Fuks, Dina Shapiro, Arnold Kiv, Vyacheslav Golovanov and Chung-Chiun Liu

      Version of Record online: 20 JAN 2010 | DOI: 10.1002/qua.22487

    5. A perturbation theory without energy corrections (pages 1950–1960)

      S. Dhatt and K. Bhattacharyya

      Version of Record online: 20 JAN 2010 | DOI: 10.1002/qua.22506

    6. Toward a regional quantum description of the positronic systems: Primary considerations (pages 1970–1981)

      Payam Nasertayoob, Mohammad Goli and Shant Shahbazian

      Version of Record online: 2 FEB 2010 | DOI: 10.1002/qua.22495

  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
    6. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    7. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    8. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    9. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    10. Theoretical Biochemistry and Biophysics
    1. Theoretical study of third-row transition metal monofluorides (pages 2014–2020)

      Vijayanand Kalamse, Nitin Wadnerkar and Ajay Chaudhari

      Version of Record online: 14 JAN 2010 | DOI: 10.1002/qua.22475

    2. Theoretical study of the reactions of lanthanide ions (Ce+, Pr+) with CO2 in the gas phase (pages 2021–2030)

      Yong-Cheng Wang, Hui-Wen Liu, Zhi-Yuan Geng, Ling-Ling Lv, Yu-Bing Si, Qing-Yun Wang, Qiang Wang and Dan-Dan Cui

      Version of Record online: 5 JAN 2010 | DOI: 10.1002/qua.22479

  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
    6. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    7. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    8. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    9. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    10. Theoretical Biochemistry and Biophysics
  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
    5. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    7. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    8. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    9. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    10. Theoretical Biochemistry and Biophysics
    1. Uranyl complexation by monodentate nitrogen donor ligands. A relativistic density functional study (pages 2045–2053)

      Olga Zakharieva, Alena Kremleva, Sven Krüger and Notker Rösch

      Version of Record online: 5 JAN 2010 | DOI: 10.1002/qua.22483

  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
    6. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    7. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    8. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    9. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    10. Theoretical Biochemistry and Biophysics
  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
    5. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    7. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    8. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    9. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    10. Theoretical Biochemistry and Biophysics
  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
    5. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    7. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    8. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    9. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    10. Theoretical Biochemistry and Biophysics
    1. Theoretical study on structures and vibrational spectra of M+(H2O)Ar (M = Cu, Ag, Au) (pages 2109–2116)

      Xiudan Song, Yongfang Zhao, Pingxia Zhang and Guohua Zhang

      Version of Record online: 27 JAN 2010 | DOI: 10.1002/qua.22498

    2. Multiphoton association reaction He + H+ [RIGHTWARDS ARROW] HeH+ steered by ultra-short laser pulse (pages 2117–2122)

      Ying-Yu Niu, Rong Wang, Ming-Hui Qiu and Jun-Ling Xiu

      Version of Record online: 27 JAN 2010 | DOI: 10.1002/qua.22502

  8. 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 Atoms and Molecules
    5. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    7. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    8. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    9. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    10. Theoretical Biochemistry and Biophysics
    1. Theoretical estimates of the IR spectrum of formamide intercalated into kaolinite (pages 2137–2148)

      Renan Borsoi Campos, Fernando Wypych and Harley Paiva Martins Filho

      Version of Record online: 27 JAN 2010 | DOI: 10.1002/qua.22496

  9. 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 Atoms and Molecules
    5. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    7. Properties, Dynamics and Electronic Structure of Atoms and Molecules
    8. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    9. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    10. Theoretical Biochemistry and Biophysics

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