International Journal of Quantum Chemistry

Cover image for Vol. 112 Issue 4

5 February 2012

Volume 112, Issue 4

Pages 941–1233

  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. Retraction
    7. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    1. The generator coordinate method in the unrestricted Hartree-Fock formalism (pages 941–947)

      W. F. D. Angelotti, R. L. A. Haiduke and M. Trsic

      Version of Record online: 2 MAY 2011 | DOI: 10.1002/qua.23013

    2. π-electron currents in polycyclic conjugated hydrocarbons: Coronene and its isomers having five and seven member rings (pages 972–985)

      Milan Randić, Marjana Novič, Marjan Vračko, Damir Vukičević and Dejan Plavšić

      Version of Record online: 18 APR 2011 | DOI: 10.1002/qua.23081

    3. Various atomic charge calculation schemes of CoMFA on HIF-1 inhibitors of moracin analogs (pages 995–1005)

      Thirumurthy Madhavan, Changdev G. Gadhe, Gugan Kothandan, Kyeong Lee and Seung Joo Cho

      Version of Record online: 2 MAY 2011 | DOI: 10.1002/qua.23084

    4. Theoretical study of hydrogen and deuterium bond in glutaric acid crystal dimer (pages 1006–1015)

      Issaoui Noureddine, Ghalla Houcine and Oujia Brahim

      Version of Record online: 4 APR 2011 | DOI: 10.1002/qua.23085

  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. Retraction
    7. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    1. Direct ab initio dynamics study of the reaction of C2(A3Πu) with CH4 (pages 1078–1085)

      Rui-Ping Huo, Xu-Ri Huang, Ji-Lai Li, Xiang Zhang, Na Li and Chia-Chung Sun

      Version of Record online: 4 MAY 2011 | DOI: 10.1002/qua.23076

    2. Interesting periodic variations in physical and chemical properties of homonuclear diatomic molecules (pages 1097–1106)

      C. Kamal, Arup Banerjee, Tapan K. Ghanty and Aparna Chakrabarti

      Version of Record online: 25 APR 2011 | DOI: 10.1002/qua.23088

    3. Ab initio modeling of optical spectra in pH-sensitive diarylethenes (pages 1122–1133)

      François Maurel, Aurélie Perrier and Denis Jacquemin

      Version of Record online: 3 MAY 2011 | DOI: 10.1002/qua.23100

    4. Density functional theory on phase space (pages 1134–1164)

      Philippe Blanchard, José M. Gracia-Bond7iacute;a and Joseph C. Várilly

      Version of Record online: 6 MAY 2011 | DOI: 10.1002/qua.23101

    5. CASPT2 study on low-lying states of HMgO and HOMg (pages 1209–1214)

      WEN-ZUO Li, FANG-FANG GENG, YU-WEI PEI, JIAN-BO CHENG, QING-ZHONG LI and BAO-AN GONG

      Version of Record online: 4 MAY 2011 | DOI: 10.1002/qua.23112

  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. Retraction
    7. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
  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. Retraction
    7. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    1. Electronic spectra of nitroethylene (pages 1225–1232)

      Itamar Borges Jr., Mario Barbatti, Adélia J.A. Aquino and Hans Lischka

      Version of Record online: 25 APR 2011 | DOI: 10.1002/qua.23080

  5. Retraction

    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. Retraction
    7. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    1. You have free access to this content
      Retraction: Ab Initio investigation of structures and stability of GanPm (n = 1–3, m = 1–4) clusters (page 1233)

      Ling Guo, Hai-Shun Wu and Zhi-Hao Jin

      Version of Record online: 12 JAN 2012 | DOI: 10.1002/qua.24016

      This article corrects:
  6. 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. Retraction
    7. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    1. Ab initio investigation of structures and stability of GanPm (n = 1–3, m = 1–4) clusters

      Ling Guo, Hai-Shun Wu and Zhi-Hao Jin

      Version of Record online: 15 JUN 2006 | DOI: 10.1002/qua.20366

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