International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

2009

Volume 109, Issue 5

Pages 897–1158

  1. Theoretical and Computational Developments

    1. Top of page
    2. Theoretical and Computational Developments
    3. Theoretical Biochemistry and Biophysics
    4. Theoretical and Computational Developments
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    7. Theoretical Biochemistry and Biophysics
    8. Erratum
    1. Empirical model for the electron impact K-shell ionization cross section of atoms (pages 897–906)

      M. A. R. Patoary, M. Alfaz Uddin, A. K. F. Haque, M. Shahjahan, A. K. Basak, M. R. Talukder and B. C. Saha

      Version of Record online: 31 OCT 2008 | DOI: 10.1002/qua.21902

    2. Bonding and correlation analysis of various Si2CO isomers on the potential energy surface (pages 907–919)

      Zhong-Jun Zhou, Hui-Ling Liu, Jian-Kang Yu, Guang-Tao Yu and Xu-Ri Huang

      Version of Record online: 25 NOV 2008 | DOI: 10.1002/qua.21871

    3. Study of a confined hydrogen-like atom by the asymptotic iteration method (pages 931–937)

      Hakan Ciftci, Richard L. Hall and Nasser Saad

      Version of Record online: 14 NOV 2008 | DOI: 10.1002/qua.21905

  2. Theoretical Biochemistry and Biophysics

    1. Top of page
    2. Theoretical and Computational Developments
    3. Theoretical Biochemistry and Biophysics
    4. Theoretical and Computational Developments
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    7. Theoretical Biochemistry and Biophysics
    8. Erratum
  3. Theoretical and Computational Developments

    1. Top of page
    2. Theoretical and Computational Developments
    3. Theoretical Biochemistry and Biophysics
    4. Theoretical and Computational Developments
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    7. Theoretical Biochemistry and Biophysics
    8. Erratum
    1. An analytic iterative approach to solving the time-independent Schrödinger equation (pages 982–998)

      Chad Junkermeier, Mark Transtrum and Manuel Berrondo

      Version of Record online: 14 NOV 2008 | DOI: 10.1002/qua.21917

    2. Theoretical studies on QSAR and mechanism of 2-indolinone derivatives as tubulin inhibitors (pages 999–1008)

      Si Yan Liao, Li Qian, Ti Fang Miao, Hai Liang Lu and Kang Cheng Zheng

      Version of Record online: 14 NOV 2008 | DOI: 10.1002/qua.21923

    3. Computational study of TNT synthesis in solvated nitration reaction systems (pages 1009–1023)

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

      Version of Record online: 25 NOV 2008 | DOI: 10.1002/qua.21925

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

    1. Top of page
    2. Theoretical and Computational Developments
    3. Theoretical Biochemistry and Biophysics
    4. Theoretical and Computational Developments
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    7. Theoretical Biochemistry and Biophysics
    8. Erratum
    1. Theoretical estimation of the electron affinity of enolate radicals (pages 1031–1035)

      Nelly González-Rivas and Andrés Cedillo

      Version of Record online: 31 OCT 2008 | DOI: 10.1002/qua.21909

    2. Gas-phase pyrolysis mechanisms of 3-anilino-1-propanol: Density functional theory study (pages 1036–1044)

      Jing Zhao, Ming-Sheng Tang, Dong-Hui Wei, Chu-Feng Zhao, Wen-Jing Zhang and Hong-Ming Wang

      Version of Record online: 14 NOV 2008 | DOI: 10.1002/qua.21924

    3. Theoretical study on HBC and HCB anions using multiconfiguration second-order perturbation theory (pages 1074–1079)

      Wen-Zuo Li, Jian-Bo Cheng, Qing-Zhong Li, Bao-An Gong and Jia-Zhong Sun

      Version of Record online: 14 NOV 2008 | DOI: 10.1002/qua.21912

  5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters

    1. Top of page
    2. Theoretical and Computational Developments
    3. Theoretical Biochemistry and Biophysics
    4. Theoretical and Computational Developments
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    7. Theoretical Biochemistry and Biophysics
    8. Erratum
    1. Transition metal atoms on oxide supports density functional calculations (pages 1094–1102)

      W. S. Abdel Halim, A. S. Shalabi and K. A. Soliman

      Version of Record online: 25 NOV 2008 | DOI: 10.1002/qua.21806

    2. Theoretical studies on structures and electronic spectra of linear carbon chains C2nH+ (n = 1−5) (pages 1116–1126)

      Jinglai Zhang, Yonghong Li, Junfeng Li, Xing Chen and Zexing Cao

      Version of Record online: 25 NOV 2008 | DOI: 10.1002/qua.21926

    3. Comparative study on the nonadditivity of methyl group in lithium bonding and hydrogen bonding (pages 1127–1134)

      Qingzhong Li, Jianbo Cheng, Wenzuo Li, Baoan Gong and Jiazhong Sun

      Version of Record online: 25 NOV 2008 | DOI: 10.1002/qua.21929

  6. Theoretical Biochemistry and Biophysics

    1. Top of page
    2. Theoretical and Computational Developments
    3. Theoretical Biochemistry and Biophysics
    4. Theoretical and Computational Developments
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    7. Theoretical Biochemistry and Biophysics
    8. Erratum
  7. Erratum

    1. Top of page
    2. Theoretical and Computational Developments
    3. Theoretical Biochemistry and Biophysics
    4. Theoretical and Computational Developments
    5. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    6. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    7. Theoretical Biochemistry and Biophysics
    8. Erratum
    1. You have free access to this content
      Erratum: An improved 6-31G* basis set for atoms Ga through Kr (page 1158)

      Alexander V. Mitin and Kenneth M. Merz Jr.

      Version of Record online: 17 DEC 2008 | DOI: 10.1002/qua.21971

      This article corrects:

      An improved 6-31G basis set for atoms Ga through Kr

      Vol. 107, Issue 15, 3028–3038, Version of Record online: 25 JUL 2007

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