International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Proceedings from the Second Humboldt Conference on Computational Chemistry

2006

Volume 106, Issue 6

Pages 1285–1464

Issue edited by: Georgi N. Vayssilov, Tzonka Mineva

    1. You have free access to this content
      Preface (page 1285)

      Georgi Vayssilov and Tzonka Mineva

      Version of Record online: 12 DEC 2005 | DOI: 10.1002/qua.20904

    2. You have free access to this content
      List of participants (pages 1286–1290)

      Version of Record online: 12 DEC 2005 | DOI: 10.1002/qua.20905

    3. Computational study of titanium (IV) complexes with organic chromophores (pages 1291–1303)

      Ivan Kondov, Haobin Wang and Michael Thoss

      Version of Record online: 5 DEC 2005 | DOI: 10.1002/qua.20885

    4. Theoretical study of the substituent effect on the intramolecular hydrogen bonds in di(4-hydroxycoumarin) derivatives (pages 1304–1315)

      Tzvetan Mihaylov, Ivelina Georgieva, Günther Bauer, Irena Kostova, Ilia Manolov and Natasha Trendafilova

      Version of Record online: 5 DEC 2005 | DOI: 10.1002/qua.20886

    5. Molecular orbital investigation of various reaction pathways in reaction of ketones with bromoform (pages 1323–1329)

      Željko J. Vitnik, Vesna D. Kiricojević, Milovan D. Ivanović and Ivan O. Juranić

      Version of Record online: 5 DEC 2005 | DOI: 10.1002/qua.20888

    6. Quantum chemical model study of the acyl migration in 2′(3′)-formylnucleosides (pages 1346–1356)

      Miroslav A. Rangelov, Georgi N. Vayssilov and Dimiter D. Petkov

      Version of Record online: 12 DEC 2005 | DOI: 10.1002/qua.20892

    7. Density functional study of the interaction of 3-(ω-bromoacetyl)coumarin with phosphites (pages 1357–1366)

      Rachel Nathaniel, Tzonka Mineva, Rositca Nikolova and Anka Bojilova

      Version of Record online: 12 DEC 2005 | DOI: 10.1002/qua.20893

    8. Anharmonic vibrational spectra of acetylacetone (pages 1367–1374)

      I. Matanović and N. Došlić

      Version of Record online: 12 DEC 2005 | DOI: 10.1002/qua.20894

    9. Physisorption of N2 on graphene platelets: An Ab initio study (pages 1375–1382)

      Lyuben Zhechkov, Thomas Heine and Gotthard Seifert

      Version of Record online: 12 DEC 2005 | DOI: 10.1002/qua.20895

    10. QSAR and 3D QSAR of inhibitors of the epidermal growth factor receptor (pages 1432–1444)

      Mariano Pinto-Bazurco, Ivanka Tsakovska and Ilza Pajeva

      Version of Record online: 12 DEC 2005 | DOI: 10.1002/qua.20901

    11. Theoretical study of some verapamil derivatives (pages 1457–1464)

      Sorana Ionescu, Carmen C. Diaconu and Mihaela Hillebrand

      Version of Record online: 12 DEC 2005 | DOI: 10.1002/qua.20903

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