International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: In Honor of Professor Kimihiko Hirao—Part II of II

2009

Volume 109, Issue 10

Pages 2047–2327

Issue edited by: So Hirata, Yasuyuki Ishikawa, Takahito Nakajima

    1. The chemiionization reactions Ce + O and Ce + O2: Assignment of the observed chemielectron bands (pages 2068–2079)

      Tanya K. Todorova, Ivan Infante, Laura Gagliardi and John M. Dyke

      Version of Record online: 23 MAR 2009 | DOI: 10.1002/qua.22058

    2. On the construction of Kramers paired double group symmetry functions (pages 2149–2167)

      Daoling Peng, Jianyi Ma and Wenjian Liu

      Version of Record online: 23 MAR 2009 | DOI: 10.1002/qua.22078

    3. Accurate torsional potentials for monohalo and fluorohalo keto-enolate compounds (pages 2199–2207)

      Arthit Vongachariya, Sutheera Tantiwattanakul and Vudhichai Parasuk

      Version of Record online: 23 MAR 2009 | DOI: 10.1002/qua.22113

    4. Theoretical study of acetonitrile-exchange reactions on hexasolvated divalent cations in the first transition series elements (pages 2208–2226)

      Hiroaki Wasada, Yuko Wasada-Tsutsui, Tomohiro Hashimoto and Shigenobu Funahashi

      Version of Record online: 23 MAR 2009 | DOI: 10.1002/qua.22112

    5. Theoretical insights into the thiol reductase activity of ebtellur (pages 2297–2307)

      Yukiko Sakimoto, Kimihiko Hirao and Djamaladdin G. Musaev

      Version of Record online: 30 MAR 2009 | DOI: 10.1002/qua.22158

    6. Ab initio QM/MM excited-state molecular dynamics study of coumarin 151 in water solution (pages 2308–2318)

      Daisuke Kina, Pooja Arora, Akira Nakayama, Takeshi Noro, Mark S. Gordon and Tetsuya Taketsugu

      Version of Record online: 23 MAR 2009 | DOI: 10.1002/qua.22157

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