International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

15 March 2010

Volume 110, Issue 4

Pages 787–962

  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
    7. Erratum
    1. Computational study on the comparative synthesis of energetic FOX-7 derivatives (pages 813–820)

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

      Version of Record online: 16 APR 2009 | DOI: 10.1002/qua.22020

  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
    7. Erratum
    1. Intramolecular hydrogen bonding in structural conformers of 2-amino methylene malonaldehyde: AIM and NBO studies (pages 821–830)

      H. Raissi, A. F. Jalbout, M. Yoosefian, Mustapha Fazli, A. Nowroozi, M. Shahinin and A. De Leon

      Version of Record online: 19 FEB 2009 | DOI: 10.1002/qua.21795

    2. A theoretical study on three conformational structures of 2,6-distyrylpyridine (pages 838–849)

      F. J. Melendez, Omar Urzúa, M. Judith Percino and Victor M. Chapela

      Version of Record online: 6 JUL 2009 | DOI: 10.1002/qua.22024

    3. Quasi-classical trajectory study on He+Hmath image/Dmath image/Tmath image reactions (pages 860–864)

      Wen-Wu Xu, Xin-Guo Liu, Shi-Xia Luan and Qing-Gang Zhang

      Version of Record online: 21 APR 2009 | DOI: 10.1002/qua.22052

    4. The influence of M…M attraction on nonlinear optical properties of (XMPH3)2 (X = F, Cl; and M = Au, Ag and Cu): A theoretical study (pages 865–873)

      Shi-Ling Sun, Guo-Chun Yang, Chun-Sheng Qin, Yong-Qing Qiu, Li-Kai Yan, Zhong-Min Su and Rong-Shun Wang

      Version of Record online: 4 FEB 2009 | DOI: 10.1002/qua.22003

    5. High-spin states in tetrahedral X4 clusters (X = H, Li, Na, K) (pages 874–884)

      Antonio Monari, Jose Pitarch-Ruiz, Gian Luigi Bendazzoli, Stefano Evangelisti and Jose Sanchez-Marin

      Version of Record online: 4 FEB 2009 | DOI: 10.1002/qua.21987

    6. Theoretical analysis of aggregation in block-copolymer films: The optical signature (pages 885–892)

      Ronaldo Giro, Liliana Y. A. Davila, Angelita M. Machado, Marilia J. Caldas and Leni Akcelrud

      Version of Record online: 4 FEB 2009 | DOI: 10.1002/qua.21979

    7. Intramolecular hydrogen bond in 3-imino-propenylamine isomers: AIM and NBO studies (pages 893–901)

      H. Raissi, Abraham F. Jalbout, B. Abbasi, F. Fazli, F. Farzad, E. Nadim and Aned de Leon

      Version of Record online: 18 FEB 2009 | DOI: 10.1002/qua.21955

    8. Equivalent potential of water for electronic structure of asparagine (pages 925–938)

      Yang Gao, Xiaohong Shen and Haoping Zheng

      Version of Record online: 27 OCT 2009 | DOI: 10.1002/qua.22336

  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
    7. Erratum
    1. The monomolecular mechanism of the gas-phase thermal decomposition of primary N-nitramines (pages 939–945)

      Elisey Mazilov, Evgeniya Ogurtsova, Alexander Shamov and Grigorii Khrapkovskii

      Version of Record online: 6 JUL 2009 | DOI: 10.1002/qua.22036

  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
    7. Erratum
    1. [80]Fullerene–amino acid interactions: Theoretical insights (pages 953–959)

      Aned De Leon, Abraham F. Jalbout and Vladimir A. Basiuk

      Version of Record online: 6 JUL 2009 | DOI: 10.1002/qua.21780

  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
    7. Erratum
    1. Book reviews (pages 960–961)

      John R. Sabin, Frederick Gregory and Naja Jeppesen

      Version of Record online: 5 JUN 2009 | DOI: 10.1002/qua.22053

  6. Erratum

    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
    7. Erratum
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