International Journal of Quantum Chemistry

Cover image for Vol. 112 Issue 14

15 July 2012

Volume 112, Issue 14

Pages 2615–2690

  1. Full Papers

    1. Top of page
    2. Full Papers
    3. Book Reviews
    4. Erratum
    1. Spectroscopic constants and molecular properties of the X2Π and a4Σ electronic states of the SiF radical (pages 2615–2622)

      De-Heng Shi, Wen-Tao Li, Jin-Feng Sun, Zun-Lue Zhu and Yu-Fang Liu

      Version of Record online: 29 DEC 2011 | DOI: 10.1002/qua.23275

      Spectroscopic Constants and Molecular Properties of the X2Π and a4Σ Electronic States of the SiF Radical

    2. Local angular momentum as ring strain descriptor (pages 2623–2626)

      S. M. Azami, M. Kheirmand and G. Rezaei

      Version of Record online: 29 DEC 2011 | DOI: 10.1002/qua.23277

    3. Diffusion monte carlo study of the hydrogen molecules adsorbed on C4H3Li (pages 2627–2631)

      Xiaoxu Jiang, Xinlu Cheng, Guanyu Chen and Hong Zhang

      Version of Record online: 29 DEC 2011 | DOI: 10.1002/qua.23278

    4. Computational study of the patterns of weaker intramolecular hydrogen bonds stabilizing acylphloroglucinols (pages 2650–2658)

      Liliana Mammino and Mwadham M. Kabanda

      Version of Record online: 29 DEC 2011 | DOI: 10.1002/qua.23280

      Weaker Intramolecular Hydrogen Bonds Stabilizing Acylphloroglucinols

    5. Solitonic waves in polyene dications and principles of charge carrier localization in π-conjugated organic materials (pages 2659–2667)

      Andrii O. Gerasov, Iffat H. Nayyar, Artëm E. Masunov, Olga V. Przhonska, Olexiy D. Kachkovsky, Dmytro O. Melnyk, Olexiy B. Ryabitsky and Olexander O. Viniychuk

      Version of Record online: 9 APR 2012 | DOI: 10.1002/qua.23281

    6. Robust half-metallicity of AlCoN and AlNiN (pages 2668–2674)

      S. Arif, Iftikhar Ahmad, B. Amin and M. Maqbool

      Version of Record online: 12 MAR 2012 | DOI: 10.1002/qua.23264

    7. The influence of hydrophobic amino acid side groups on the acidity of the aromatic imidazole ring of histidine: A theoretical study (pages 2675–2680)

      Reza Izadi Najafabadi, Mohammad Reza Housaindokht, Mohammad Sadegh Sadeghi Googheri, Mohsen Sargolzaei and Mohammad Izadyar

      Version of Record online: 29 DEC 2011 | DOI: 10.1002/qua.23270

  2. Book Reviews

    1. Top of page
    2. Full Papers
    3. Book Reviews
    4. Erratum
  3. Erratum

    1. Top of page
    2. Full Papers
    3. Book Reviews
    4. Erratum
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