International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Proceedings from the 3rd Humboldt Conference on Computational Chemistry

2007

Volume 107, Issue 8

Pages 1651–1834

Issue edited by: Georgi N. Vayssilov, Tzonka Mineva

    1. Preface: Third Humboldt Conference on Computational Chemistry (pages 1651–1652)

      Georgi Vayssilov and Tzonka Mineva

      Version of Record online: 25 JAN 2007 | DOI: 10.1002/qua.21280

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      List of participants (pages 1653–1656)

      Version of Record online: 25 JAN 2007 | DOI: 10.1002/qua.21281

    3. Theoretical study of the structure and electronic spectra of fully protonated emeraldine oligomers (pages 1688–1706)

      H. Zhekova, A. Tadjer, A. Ivanova, J. Petrova and N. Gospodinova

      Version of Record online: 31 OCT 2006 | DOI: 10.1002/qua.21241

    4. A preliminary MTD-PLS study for androgen receptor binding of steroid compounds (pages 1707–1713)

      Alina Bora, E. Seclaman, L. Kurunczi and Simona Funar-Timofei

      Version of Record online: 5 FEB 2007 | DOI: 10.1002/qua.21311

    5. Molecular modeling of some calcium and magnesium ionic bridges (pages 1714–1718)

      Valentin Careja, Simona Muntean, Mircea Mracec, Ludovic Sayti and Zeno Simon

      Version of Record online: 6 DEC 2006 | DOI: 10.1002/qua.21272

    6. Exploratory study of dielectric properties of insoluble monolayers: Molecular models (pages 1719–1735)

      A. Tadjer, A. Ivanova, Y. Velkov, S. Tzvetanov, M. Gotsev and B. Radoev

      Version of Record online: 31 OCT 2006 | DOI: 10.1002/qua.21239

    7. IR spectral and structural studies of 4-aminobenzenesulfonamide (sulfanilamide)-d0, -d4, and -15N, as well as their azanions: Combined DFT B3LYP/experimental approach (pages 1752–1764)

      Angelina D. Popova, Miglena. K. Georgieva, Ognyan. I. Petrov, Katya. V. Petrova and Evelina. A. Velcheva

      Version of Record online: 31 OCT 2006 | DOI: 10.1002/qua.21242

    8. First principle study of the structure of conjugated amides and thioamides (pages 1765–1771)

      Zhivko Velkov, Yasen Velkov, Elena Balabanova and Alia Tadjer

      Version of Record online: 31 OCT 2006 | DOI: 10.1002/qua.21234

    9. Exploring the binding site of the human muscarinic M3 receptor: Homology modeling and docking study (pages 1794–1802)

      Liliana Ostopovici, Maria Mracec, Mircea Mracec and Ana Borota

      Version of Record online: 3 JAN 2007 | DOI: 10.1002/qua.21290

    10. Conformational analysis for some nonclassical antagonists of histamine H3 receptor (pages 1803–1813)

      Ana Borota, Maria Mracec, Ramona Rad, Liliana Ostopovici and Mircea Mracec

      Version of Record online: 15 NOV 2006 | DOI: 10.1002/qua.21263

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