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2006 Fiscal Year Final Research Report Summary

Establishment of Atomic and Molecular Database for Better Treatment Plan in Heavy-Ion Cancer Therapy.

Research Project

Project/Area Number 16500052
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Media informatics/Database
Research InstitutionHitotsubashi University

Principal Investigator

SUZUKI Reiko  Computer Center, Assistant, 総合情報処理センター, 助手 (70187780)

Co-Investigator(Kenkyū-buntansha) KIMURA Mineo  Kyushu University, Faculty of Sciences, Professor, 理学研究院, 教授 (00281733)
Project Period (FY) 2004 – 2006
KeywordsCharge Transfer process / Charged heavy particle / Biological molecules / Water molecule / Dissociation / Hydrocarbon molecules
Research Abstract

Theoretical studies on collision process of (H+ CH2, C2H4, C2H6, NH2, H20)^+ systems has been done by using adiabatic potential of their systems and MO couplings at various orientations of target molecule. On the charge transfer process of proton with target molecule, a scattering cross section was calculated by means of close-coupling method, and reaction processes, ionization, dissociation, and fragmentation were investigated. In our previous work, close-coupling calculation has been carried out on various systems, as (H+CH4)^+, (H+C2H2)^+ and so on. This study is a series of these atom/molecule collision process, and for closer investigations on these atom-molecule reactions. Comparing with simple molecule systems, as (H+H2)^+, it is necessary to consider so many excitation sates and final states on the collision reaction of these complex molecules, and the required data base is much larger than the previous systems.
These numerical databases on collision process is variable in many applications, such as surface science, nano-technology, and radiology. A careful reassessment of theoretical calculations and experimental results is now performed in order to construct a reliable data base on the above processes. We are now continuing to make a database useful to wide applications. Following these researches, libraries of dissociation process of bio-molecules are now under progress for material science and biomedical applications. Among them, fragmentation and dissociation of O^+/H_2 and H^+/H_2O molecule is one of the interesting reactions in biology and environment science. The data libraries for these applications were also studied.

  • Research Products

    (42 results)

All 2006 2005 2004

All Journal Article (42 results)

  • [Journal Article] ANGULAR DEPENDENCE OF DOUBLE ELECTRON CAPTURB INCOLLISIONS OF C^<4+> WITH He2006

    • Author(s)
      L.Pichl, R.Suzuki, M.Kimura, M.Hoshino, Y.Yamazaki
    • Journal Title

      Euro. Phys. J. D 38

      Pages: 59-64

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Charge transfer processes in collisions of He^<2+> ions with H_2, N_2, O_2, CO and CO_2 molecules below 4keV/u2006

    • Author(s)
      T.Kusakabe, Y.Miyamoto, M.Kimura, H.Tawara
    • Journal Title

      Phys. Rev. A. 73

      Pages: 022706 (9)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] EXPERIMENTAL OBSERVATION OF NEUTRAL RADICAL FORMATION FROM CH_4 BY ELECTRON IMPACT IN THE THRESHOLD REGION2006

    • Author(s)
      C.Makochekanwa, K.Oguri, R.Suzuki, T.Ishihara, M.Hoshino, M.Kimura, H.Tanaka
    • Journal Title

      Phys. Rev. A. 74

      Pages: 042704 (9)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] ELASTIC AND INELASTIC PROCESSES IN H^+ + NH_2 COLLISIONS BETWEEN 0.5 AND 1.5 KEV2006

    • Author(s)
      H.Suno, S.N.Rai, H.-P.Liebermann, R.J.Buenker, M.Kimura, L.Pichl
    • Journal Title

      Phys. Rev. A. 74

      Pages: 012701 (7)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Charge-transfer cross sections in collisions of ground-state Ca and H^+2006

    • Author(s)
      C.M.Dutta, C.Oubre, P.Nordlander, M.Kimura, A.Dalgarno
    • Journal Title

      Phys. Rev. A 73

      Pages: 032714 (7)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] STERIC EFFCET IN O^+/H_2 AND H^+/H_2O COLLISIONS2006

    • Author(s)
      C.Makochekanwa, O.Sueoka, M.Kimura
    • Journal Title

      Nucl. Instrum. Method B247

      Pages: 79-86

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] STERIC EFFCET IN O^+/H_2 AND H^+/H_2O COLLISIONS2006

    • Author(s)
      M.Kimura, L.Pichl, Y.Li, H-P.Liebermann, R.J.Buenker, I.Schneider
    • Journal Title

      Euro. Phys. J. D38

      Pages: 85-91

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] MULTIREFERENCE CI STUDY OF THE POTENTIAL CURVES AND PROPERTIES OF POSITRONIC COMPLEXES OF ALKALI HYDRIDES2006

    • Author(s)
      R.J.Buenker, H.-P.Liebermann, A.Tachikawa, L.Pichl, M.Kimura, I.Schneider
    • Journal Title

      Nucl. Instrum. Method B247

      Pages: 47-51

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Positronium formation in polyatomic molecules2006

    • Author(s)
      C.Makochekanwa, O.Sueoka, M.Kimura
    • Journal Title

      Nucl. Instrum. Method B247

      Pages: 79-86

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] ELECTRON IMPACT VIBRATIONAL EXCITATION OF F_2CO MOLECULE : A COMPARISON WITH H_2CO2006

    • Author(s)
      H.Kato, C.Makochekanwa, M.Hoshino, M.Kimura, H.Cho, T.Kume, A.Yamamoto, H.Tanaka
    • Journal Title

      Chem. Phys. Lett. 425

      Pages: 1-5

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] EXPERIMENTAL STUDY OF C_3F_6 ELECTRON IMPACT SPECTROSCOPY2006

    • Author(s)
      H.Kato, C.Makochekanwa, M.Hoshino, M.Kimura, H.Cho, H.Tanaka
    • Journal Title

      Japanese Journal of Applied Physics 45

      Pages: 8197-8199

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Radiative charge transfer in Ne^<2+> + He collisions2006

    • Author(s)
      L.B.Zhou, J.G.Wang, P.Stancil, J.-P.Gu, L.-P.Liebermann, R.J.Buenker, M.Kimura
    • Journal Title

      J. Phys. B 39

      Pages: 5151-5160

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] ANGULAR DEPENDENCE OF DOUBLE ELECTRON CAPTURE INCOLLISIONS OF C4+ WITH He2006

    • Author(s)
      L.Fichl, K.Suzuki, M.Kimura, M.Hoshino, Y.Yamazaki
    • Journal Title

      Euro.Phys.J.D 38

      Pages: 59-64

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Charge transfer processes in collisions of He^<2+> ions with H_2, N_2, O_2 CO and CO_2 molecules below 4keV/u2006

    • Author(s)
      T.Kusakabe, Y.Miyamoto, M.Kimura, H.Tawara
    • Journal Title

      Phys.Rev.A 73

      Pages: 022706(9)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Experimental observation of neutral radical formation from CH_4 by electron impact in the threshold region2006

    • Author(s)
      C.Makochekanwa, K.Oguri, R.Suzuki, T.Ishihara, M.Hoshino, M.Kimura, H.Tanaka
    • Journal Title

      Phys.Rev.A 74

      Pages: 042704(4)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] ELASTIC AND INELASTIC PROCESSES IN H^+ + NH_2 COLLISIONS BETWEEN 0.5 AND 1.5 keV2006

    • Author(s)
      H.Suno, S.N.Rai, H.-P.Liebermann, R.J.Buenker, M.Kimura, L.Pichl
    • Journal Title

      Phys.Rev.A 74

      Pages: 012701(7)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] STERIC EFFCET IN O^+/H_2 AND H^+/H2_O COLLISIONS2006

    • Author(s)
      C.Makochekanwa, 0.Sueoka, M.Kimura
    • Journal Title

      Nucl.Instrum.Method B247

      Pages: 79-86

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] STERIC EFFCET IN O^/H_2 AND H^+/H_2O COLLISIONS2006

    • Author(s)
      M.Kimura, L.Pichl, Y Li, H-P.Liebermann, R.J.Buenker, I.Schneider
    • Journal Title

      Euro.Phys.J. D38

      Pages: 85-91

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] MULTIREFERENCE CI STUDY OF THE POTENTIAL CURVES AND PROPERTIES OF POSITRONIC COMPLEXES OF ALKALI HYDRIDES2006

    • Author(s)
      R.J.Buenker, H.-P.Liebermann, A.Tachikawa, L.Pichl, M.Kimura, I.Schneider
    • Journal Title

      Nucl.Instrum.Method B247

      Pages: 47-51

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Positronium formation in polyatomic molecules2006

    • Author(s)
      C.Makochekanwa, 0.Sueoka, M.Kimura
    • Journal Title

      Nucl.Instrum.Method B247

      Pages: 79-86

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] ELECTRON IMPACT VIBRATIONAL EXCITATION OF F_2CO MOLECULE : A COMPARISON WITH H_2CO2006

    • Author(s)
      H.Kato, C.Makochekanwa, M.Hoshino, M.Kimura, H.Cho, T.Kume, A.Yamamoto, H.Tanaka
    • Journal Title

      Chem.Phys.Lett. 425

      Pages: 1-5

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Radiative charge transfer in Ne^<2+> He collisions2006

    • Author(s)
      L.B.Zhou, J.G Wang, P.Stancil, J.-P.Gu, H-P.Liebermann, R.J.Buenker, M.Kimura
    • Journal Title

      J.Phys.B 39

      Pages: 5151-5160

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] ELASTIC AND ELECTRON-CAPTURE PROCESSES IN H^+ + C_2H_4 COLLISIONS BELOW THE 10-keV REGIME2005

    • Author(s)
      R.Suzuki, S.N.Rai, -P.Liebermann, R.J.Buenker, L.Pichl, Kimura
    • Journal Title

      Phys. Rev. A. 71

      Pages: 32710 (10)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Charge transfer processes by proton in collisions with C_2H_4 molecule below the 10-keV regime2005

    • Author(s)
      R.Suzuki, S.N.Rai, H-P.Liebermann, R.J.Buenker, L.Pichl, M.Kimura
    • Journal Title

      RIKEN Accel. Prog. Rep. 38

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Elastic and inelastic processes in H^++C_2H_6 collisions below the 10-keV regime2005

    • Author(s)
      R.Suzuki, S.N.Rai, H-P.Liebermann, R.J.Buenker, L.Pichl, M.Kimura
    • Journal Title

      Phys. Rev. A. 72

      Pages: 52710 (10)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] CHARGE TRANSFER BETWEEN S^+ with He2005

    • Author(s)
      L.Zhao, P.C.Stancil, J.P.Gu, G.Hirsch, R.J.Buenker, T.W.Imai, M.Kimura
    • Journal Title

      Phys. Rev. A 72

      Pages: 032719 (9)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Electron capture in collisions of S with H^+2005

    • Author(s)
      L.Zhao, P.C.Stancil, J.P.Gu, H.-P.Liebermann, Y.Li, R.J.Buenker, B.Zygelman, M.Kimura, A.Dalgarno
    • Journal Title

      Phys. Rev. A 71

      Pages: 062713 (11)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] ELECTRON CAPTURE IN COLLISION OF N^+ WITH H AND N WITH H^+2005

    • Author(s)
      C.Y.Lin, P.C.Stancil, J.P.Gu, R.J.Buenker, M.Kimura
    • Journal Title

      Phys. Rev. A 71

      Pages: 062708 (7)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] ELASTIC AND ELECTRON-CAPTURE PROCESSES IN H^+ + C_2H_4 COLLISIONS BELOW THE 10-keV REGIME2005

    • Author(s)
      R.Suzuki, S.N.Rai, H-P.Liebermann, R.J.Buenker, L.Pichl, Kimura
    • Journal Title

      Phys.Rev.A. 71

      Pages: 32710(10)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Charge transfer processes by proton in collisions with C_2H_4, molecule below the 10-keV regime2005

    • Author(s)
      K.Suzuki, H-P.Liebermann, R.J.Buenker, L.Pichl, Kimura
    • Journal Title

      RIKEN Accel. Prog. Rep. 38

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Elastic and inelastic processes in H^++C_2H_6 collisions below the 10-keV regime2005

    • Author(s)
      R.Suzuki, S.N.Rai, H-P.Liebermann, R.J.Buenker, L.Pichl, M.Kimura
    • Journal Title

      Phys.Rev.A. 72

      Pages: 52710(10)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] CHARGE TRANSFER BETWEEN S^+ with He2005

    • Author(s)
      L.Zhao, P.C.Stancil, J.P.Gu, G Hirsch, R.J.Buenker, T.W.Imai, M.Kimura
    • Journal Title

      Phys.Rev.A 72

      Pages: 032719(9)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Electron capture in collisions of S with H^+2005

    • Author(s)
      L.Zhao, P.C.Stancil, J.P.Gu, H.-P.Liebermann, Y.Li, R.J.Buenker, B.Zygelman, M.Kimura, A.Dalgarno
    • Journal Title

      Phys.Rev.A 71

      Pages: 062713(11)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] ELECTRON CAPTURE IN COLLISION OF N^+ WITH H AND N WITH H^+2005

    • Author(s)
      C.Y.Lin, P.C.Stancil, J.P.Gu, R J.Buenker, M.Kimura
    • Journal Title

      Phys.Rev.A 71

      Pages: 062708(7)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Double and single electron-transfer in H^++K collisions from 0.3 keV to 4 keV2004

    • Author(s)
      S.Hayakawa, K.Kadomura, M.Kimura, C.M.Dutta
    • Journal Title

      Phys. Rev. A. 70

      Pages: 022708 (6)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Elastic and inelastic processes in H^++CH_2 collisions below the 1.5-keV regime2004

    • Author(s)
      H.Suno, R.J.Buenker, M.Kimura, R.Janev
    • Journal Title

      Phys. Rev. A. 70

      Pages: 032703 (7)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Isotope effect in charge-transfer collisions of slow H^+ and D^+ ions with H_2, HD, and D_2 molecules2004

    • Author(s)
      T.Kusakabe, L.Pichle, R.J.Buenker, M.Kimura, H.Tawara
    • Journal Title

      Phys. Rev. A. 70

      Pages: 052710 (7)

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Geometry relaxation effects for molecules as a result of binding with a positron2004

    • Author(s)
      M.Tachikawa, R.J.Buenker, M.Kimura
    • Journal Title

      J. Chem. Phys. 121

      Pages: 9191-9192

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Double and single electron-transfer in H^+ + K collisions from 0.3 keV to 4 keV2004

    • Author(s)
      S.Hayakawa, K.Kadomura, M.Kimura, CM.Dutta
    • Journal Title

      Phys.Rev.A. 70

      Pages: 022708(6)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Elastic and inelastic processes in H^++CH_2 collisions below the 1.5-keV regime2004

    • Author(s)
      H.Suno, R J.Buenker, M.Kimura, R.Janev
    • Journal Title

      Phys.Rev.A. 70

      Pages: 032703 (7)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Isotope effect in charge-transfer collisions of slow H^+ and D^+ ions with H_2, HD, and D_2 molecules2004

    • Author(s)
      T.Kusakabe, L.Pichle, R.J.Buenker, M.Kimura, H.Tawara
    • Journal Title

      Phys.Rev.A. 70

      Pages: 052710(7)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Geometry relaxation effects for molecules as a result of binding with a positron2004

    • Author(s)
      M.Tachikawa, R.J.Buenker, M.Kimura
    • Journal Title

      J.Chem.Phys. 121

      Pages: 9191-9192

    • Description
      「研究成果報告書概要(欧文)」より

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Published: 2008-05-27  

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