International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

15 June 2002

Volume 88, Issue 4

Pages 357–529

    1. Introduction (page 357)

      Andrei L. Tchougréeff

      Version of Record online: 5 APR 2002 | DOI: 10.1002/qua.10101

    2. Effective crystal field for trivalent first transition row ions (pages 370–379)

      A. V. Sinitsky, M. B. Darhovskii, A. L. Tchougréeff and I. A. Misurkin

      Version of Record online: 8 APR 2002 | DOI: 10.1002/qua.10174

    3. Ab initio quantum chemical calculations of a cluster C8H12 (pages 433–435)

      Helen N. Timokhina, Alexander A. Ovchinnikov and Konstantin V. Bozhenko

      Version of Record online: 5 APR 2002 | DOI: 10.1002/qua.10191

    4. Relationship between the energy of donor–acceptor bond and the reorganization energy in molecular complexes (pages 436–440)

      A. Y. Timoshkin, E. I. Davydova, T. N. Sevastianova, A. V. Suvorov and H. F. Schaefer

      Version of Record online: 2 APR 2002 | DOI: 10.1002/qua.10073

    5. High-spin silicon fullerene Si60 and its oligomers (pages 441–448)

      Elena F. Sheka, Ekaterina A. Nikitina, Valentin A. Zayets and Ilya Ya. Ginzburg

      Version of Record online: 11 APR 2002 | DOI: 10.1002/qua.10192

    6. NANOPACK: Parallel codes for semiempirical quantum chemical calculations of large systems in the sp- and spd-basis (pages 449–462)

      Parvaz K. Berzigiyarov, Valentin A. Zayets, Ilya Ya. Ginzburg, Vladimir F. Razumov and Elena F. Sheka

      Version of Record online: 11 APR 2002 | DOI: 10.1002/qua.10193

    7. Quantum chemistry of ferroelectric solids: Electronic structures and peculiar behavior of zero-dimensional K3H(SO4)2-like materials (pages 463–471)

      S. P. Dolin, A. A. Levin, T. Yu. Mikhailova, M. V. Solin and L. I. Trakhtenberg

      Version of Record online: 15 APR 2002 | DOI: 10.1002/qua.10223

    8. Potential energy surfaces of fluorobenzene radical anions (pages 481–488)

      Irina V. Beregovaya and Lyudmila N. Shchegoleva

      Version of Record online: 5 APR 2002 | DOI: 10.1002/qua.10195

    9. Reactivity of molecular oxygen on the surface of ionic crystals (pages 489–495)

      I. D. Mikheikin, I. K. Vorontsova and I. A. Abronin

      Version of Record online: 11 APR 2002 | DOI: 10.1002/qua.10196

    10. Hydrated electron: Nonempirical cluster approach (pages 496–506)

      Yulia V. Novakovskaya and Nikolai F. Stepanov

      Version of Record online: 5 APR 2002 | DOI: 10.1002/qua.10197

    11. Investigation of structure of Fe3+ magnetic center in polyparaphenylene (pages 525–529)

      V. N. Vasyukov, V. A. Shapovalov, V. P. Dyakonov, A. F. Dmitruk, E. I. Aksimentjeva, H. Szymczak and S. Piechota

      Version of Record online: 11 APR 2002 | DOI: 10.1002/qua.10200

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