特定非営利活動法人 量子化学研究協会研究所 Quantum Chemistry Research Institute

Atsushi Ishikawa

  • Quantum Chemistry Research Institute — Researcher
  • Doctor of Engineering (Kyoto University)
E-mail a.ishikawaqcri.or.jp

Publication List (last update: Nov. 16, 2011)

10 “Solving the Schrodinger and Dirac equations of atoms and molecules with massively parallel super-computer”, H. Nakashima, A. Ishikawa, Y. I. Kurokawa, H. Nakatsuji, SC12 Companion Proceedings of the 2012 companion on High Performance Computing Networking, Storage and Analysis Companion, in press.
9 “Solving the Schrodinger Equation of Hydrogen Molecular Ion in the Magnetic Field with the Free Complement Method”, A. Ishikawa, H. Nakashima, H. Nakatsuji, the Proceedings of QSCP-XVI (PTCP), in press
8 “Complicated Electronic Process of C-C σ-Bond Activation of Cyclopropene by Ruthenium and Iridium Complexes: Theoretical Study”, A. Ishikawa, Y. Tanimura, Y. Nakao, H. Sato, S. Sakaki, Organometallics, in press
7 “Accurate solutions of the Schroedinger and Dirac equations of H2+, HD+, and HT+; with and without Born-Oppenheimer approximation and under the magnetic field”, A. Ishikawa, H. Nakashima, H. Nakatsuji, Chem. Phys., 2012, 401, 62-72
6 “Theoretical study of photoinduced epoxidation of olefins catalyzed by ruthenium porphyrin”, A. Ishikawa, S. Sakaki, J. Phys. Chem. A, 2011,115, 4774-4785
5 “Pd(II)-promoted direct cross-coupling reaction of arenes via highly regioselective aromatic C-H activation: a theoretical study”, A. Ishikawa, Y. Nakao, H. Sato, S. Sakaki, Dalton Trans. 2010, 39, 3279-3289
4 “Oxygen atom transfer reactions of iridium and osmium complexes: theoretical study of characteristic features and significantly large differences between these two complexes”, A. Ishikawa, Y. Nakao, H. Sato, S. Sakaki, Inorg. Chem, 2009, 48, 8154-8163
3 “Solving the Schroedinger and Dirac equations of hydrogen molecular ion accurately by the free iterative complement interaction method”, A. Ishikawa, H. Nakashima, H. Nakatsuji, J. Chem. Phys, 2008, 128, 124103
2 “Solving the Schroedinger equation for atoms and molecules without analytical integration based on the free-iterative complement interaction wave function”, H.Nakatsuji, H.Nakashima, Y.Kurokawa, A.Ishikawa,Phys. Rev. Lett. 2007, 99, 240402
1 “Detection of optical trapping of CdTe quantum dots by two-photon-induced luminescence”, L. Pan, A. Ishikawa, N. Tamai, Phys. Rev. B, 2007, 75, 161305

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