International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

2007

Volume 107, Issue 1

Pages 1–258

  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
  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. Theoretical investigation of the tautomerism of isoorotic acid in gaseous and aqueous phases (pages 63–71)

      Seung Joo Cho, Adel A. Mohamed and Shaaban A. K. Elroby

      Version of Record online: 2 AUG 2006 | DOI: 10.1002/qua.21013

    2. Structure and stability of Be6, Bemath image, and Bemath image clusters (pages 81–91)

      Yi Zhao, Nan Li, Wen Guo Xu and Qian Shu Li

      Version of Record online: 4 AUG 2006 | DOI: 10.1002/qua.21064

    3. Theory of chemical bonds in metalloenzymes III: Full geometry optimization and vibration analysis of ferredoxin-type [2Fe–2S] cluster (pages 116–133)

      Mitsuo Shoji, Kenichi Koizumi, Takeshi Taniguchi, Yasutaka Kitagawa, Shusuke Yamanaka, Mitsutaka Okumura and Kizashi Yamaguchi

      Version of Record online: 22 AUG 2006 | DOI: 10.1002/qua.21016

    4. DFT study of core-modified porphyrin isomers (pages 134–151)

      Y. Soujanya, M. Punnagai, B. Sateesh and G. Narahari Sastry

      Version of Record online: 1 AUG 2006 | DOI: 10.1002/qua.21022

    5. Theoretical study of molecular and electronic structure of 2-Se-(2-methyl-2-propenyl)-1-benzoic acid (pages 152–158)

      Ali Jameel Hameed, Abraham F. Jalbout and Bartosz Trzaskowski

      Version of Record online: 20 JUN 2006 | DOI: 10.1002/qua.21072

    6. Protonation of phenylboronic acid: Comparison of G3B3 and G2MP2 methods (pages 182–188)

      Senjuti De, Michael G. B. Drew, David W. Price, Samik Nag and Dipankar Datta

      Version of Record online: 4 AUG 2006 | DOI: 10.1002/qua.21034

  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. Theoretical study of 3d-metal mononitrides using DFT method (pages 212–218)

      Ajay Chaudhari and Shyi-Long Lee

      Version of Record online: 12 JUL 2006 | DOI: 10.1002/qua.21060

    2. Structural evolution of subnano platinum clusters (pages 219–224)

      Aihua Nie, Jinping Wu, Chenggang Zhou, Shujuan Yao, Chen Luo, Robert C. Forrey and Hansong Cheng

      Version of Record online: 1 AUG 2006 | DOI: 10.1002/qua.21011

    3. Influence of sequential lithium insertions on the physical properties of spinel manganese oxide (pages 225–231)

      Liancai Ning, Jinping Wu, Chenggang Zhou, Shujuan Yao, Zhenbang Pi and Hansong Cheng

      Version of Record online: 1 AUG 2006 | DOI: 10.1002/qua.21017

    4. Theoretical study in [C2H4–Tl]+ and [C2H2–Tl]+ complexes (pages 232–239)

      Fernando Mendizabal and Claudio Olea-Azar

      Version of Record online: 2 AUG 2006 | DOI: 10.1002/qua.21033

  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. Theoretical study of the · H reaction with cytosine (pages 240–246)

      Hongyu Zhang, Qimin Liang, Yueyuan Xia, Mingwen Zhao, Yanju Ji, Chen Song, Xiangdong Liu and Bingyun Zhang

      Version of Record online: 21 AUG 2006 | DOI: 10.1002/qua.21023

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