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Studies on Chemical Reaction Dynamics

Studies on Chemical Reaction Dynamics
化学反应动力学研究
批准号:
06044232
负责人:
NAKAMURA Hiroki
金额:
$3.71万
依托单位国家:
日本
项目类别:
Grant-in-Aid for international Scientific Research
财政年份:
1994
资助国家:
日本
项目状态:
已结题
起止时间:
1994 至 1995

项目摘要

项目成果

NAKAMURA Hiroki的其他基金

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中文摘要
翻译
两名以色列科学家被接受,两名日本科学家被派往进行合作研究,由特拉维夫大学A. Ben-Reuven教授在8月底到8月底在Nakamura教授小组呆了一个半月,并在新近开发的非代谢过渡理论的可能应用上开展了研究,M. Naphcha博士在IMS Iwata教授小组开展了合作。在分子电子结构上工作。根据MCSCF-MRCI方法和研究的dissociation processes进行电子结构的电子结构。Prof. K. Yamashita worked together with Prof. R. Kosloff on the photo dissociated of I_3^- in solution。Experimentally observed spectrum of the dissociated product I_2^- was assigned to the Sigma_u state arManagement from the spin-orbit interaction between ^3 PI_u and ^1 SIGMA_u states·by the CASSCF method。更多elaborate calculations are now in progress to obtain quantitatively accurate results。Prof. Y. Tanimura had a useful discussions and started collaboration on the high resolution spectroscopy of a single pentacene molecule in a matrix of terphenyl。Fractal noise method and the spin boson method were found to be effective method to?ze this proManagement。
英文摘要
Two Israeli scientists were accepted and two Japanese scientists were dispatched in order to carry out collaborative research.Prof.A.Ben-Reuven of Tel Aviv University came in the end of August to stay for one and half month in the group of Prof.Nakamura at IMS,and worked on the possible applications of the newly developed theory of nonadiabatic transitions.Dr.M.Naphcha stayd in the group of Prof.Iwata of IMS and carried out a collaborative work on molecular electronic structure.Electronic structures of ground and excited states of CCH were calculated by the MCSCF-MRCI method and studied the dissociation processes.Prof.K.Yamashita worked together with Prof.R.Kosloff on the photo dissociated of I_3^- in solution.Experimentally observed spectrum of the dissociated product I_2^- was assigned to the SIGMA_u state arising from the spin-orbit interaction between ^3PI_u and ^1SIGMA_u states・by the CASSCF method.More elaborate calculations are now in progress to obtain quantitatively accurate results.Prof.Y.Tanimura had a useful discussions and started collaboration on the high resolution spectroscopy of a single pentacene molecule in a matrix of terphenyl.The fractal noise method and the spin boson method were found to be effective methods to analyze this problem.
期刊论文(1)
专著(0)
科研奖励(0)
会议论文
K.Yamashita and R.Kosloff: "Direct Propagation Methods for Triatomic Molecules using Bond and Conformally Euclidian Internal Coordinates : Application for H_3^+" (現在準備中).
K. Yamashita 和 R. Kosloff:“使用键和一致欧几里得内坐标的三原子分子的直接传播方法:H_3^+ 的应用”(目前正在准备中)。
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通讯作者:
Macro- and micro-analysis of relationships between entrepreneurship and environment, economy and society in cities worldwide
  • 批准号:
    17K12982
  • 项目类别:
    Grant-in-Aid for Young Scientists (B)
  • 资助金额:
    $2.66万
  • 财政年份:
    2017
  • 负责人:
    NAKAMURA Hiroki
  • 依托单位:
Studies of Non-adiabatic Chemical Dynamics based on the Zhu-Nakamura Theory
Dynamics theory of the Elementary Chemical Reactions
  • 批准号:
    11166271
  • 项目类别:
    Grant-in-Aid for Scientific Research on Priority Areas (A)
  • 资助金额:
    $13.44万
  • 财政年份:
    1999
  • 负责人:
    NAKAMURA Hiroki
  • 依托单位:
Theoretical Studies of Nonadiabatic Transitions and Chemical Dynamical Problems
  • 批准号:
    10440179
  • 项目类别:
    Grant-in-Aid for Scientific Research (B).
  • 资助金额:
    $6.27万
  • 财政年份:
    1998
  • 负责人:
    NAKAMURA Hiroki
  • 依托单位:
海外基金