International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Proceedings of the 2002 Fock School on Quantum and Computational Chemistry-Part I of II

2004

Volume 96, Issue 2

Pages 71–184

Issue edited by: Andrei L. Tchougréeff

    1. You have free access to this content
      Introduction (pages 71–72)

      Andrei L. Tchougréeff

      Article first published online: 12 FEB 2003 | DOI: 10.1002/qua.10543

    2. NANOVIBR: Parallel codes for semiempirical quantum chemical and harmonic vibration large-scale calculations (pages 73–79)

      Parvaz K. Berzigiyarov, Valentine A. Zayets, Ilya Y. Ginzburg, Vladimir F. Razumov and Elena F. Sheka

      Article first published online: 9 MAY 2003 | DOI: 10.1002/qua.10544

    3. DFT study of the role of intermolecular interactions in the formation of stable halogeno– and ammineaqua– platinum(II) coordination compounds (pages 80–88)

      Natalia S. Panina, Alexander N. Beljaev, Svetlana A. Simanova and Mario Calligaris

      Article first published online: 18 SEP 2003 | DOI: 10.1002/qua.10644

    4. Chemical bonding in crystalline silver halides: Wannier-type atomic functions approach (pages 95–105)

      R. A. Evarestov, V. P. Smirnov and D. E. Usvyat

      Article first published online: 20 AUG 2003 | DOI: 10.1002/qua.10645

    5. Quantum chemical calculation of crystalline model of biomembrane (pages 106–115)

      R. A. Evarestov, V. E. Stefanov, V. A. Karasev and A. V. Bandura

      Article first published online: 11 JUN 2003 | DOI: 10.1002/qua.10610

    6. Calculation of thermochemical properties of conjugated radicals (pages 123–135)

      Y. B. Vysotsky and V. S. Bryantsev

      Article first published online: 8 APR 2003 | DOI: 10.1002/qua.10545

    7. Fluorination of carbon nanotubes: Quantum chemical investigation within MNDO approximation (pages 142–148)

      N. G. Lebedev, I. V. Zaporotskova and L. A. Chernozatonskii

      Article first published online: 14 JUL 2003 | DOI: 10.1002/qua.10674

    8. Single and regular hydrogenation and oxidation of carbon nanotubes: MNDO calculations (pages 149–154)

      I. V. Zaporotskova, N. G. Lebedev and L. A. Chernozatonskii

      Article first published online: 15 JUL 2003 | DOI: 10.1002/qua.10647

    9. Orbital-stoichiometric cluster model of carbon nanotube generation on quantum dots of diamond surface (pages 155–166)

      N. G. Lebedev, I. V. Ponomareva and L. A. Chernozatonskii

      Article first published online: 20 AUG 2003 | DOI: 10.1002/qua.10721

    10. Spectra of one-electron atom in a spherical cavity (pages 167–174)

      Maris E. Changa, Andrei V. Scherbinin and Vladimir I. Pupyshev

      Article first published online: 20 JUN 2003 | DOI: 10.1002/qua.10637

    11. Deductive molecular mechanics of sp3 carbon atom (pages 175–184)

      A. L. Tchougréeff and A. M. Tokmachev

      Article first published online: 11 JUN 2003 | DOI: 10.1002/qua.10618

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