Studies on Chemical Reaction Dynamics
Studies on Chemical Reaction Dynamics
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
中文摘要
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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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期刊:
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作者:
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通讯作者:
Macro- and micro-analysis of relationships between entrepreneurship and environment, economy and society in cities worldwide
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批准号:17K12982
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项目类别:Grant-in-Aid for Young Scientists (B)
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资助金额:$2.66万
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财政年份:2017
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负责人:NAKAMURA Hiroki
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依托单位:
Studies of Non-adiabatic Chemical Dynamics based on the Zhu-Nakamura Theory
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批准号:15002011
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项目类别:Grant-in-Aid for Specially Promoted Research
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资助金额:$212.16万
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财政年份:2003
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负责人:NAKAMURA Hiroki
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依托单位:
Dynamics theory of the Elementary Chemical Reactions
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批准号:11166271
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项目类别:Grant-in-Aid for Scientific Research on Priority Areas (A)
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资助金额:$13.44万
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财政年份:1999
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负责人:NAKAMURA Hiroki
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依托单位:
Theoretical Studies of Nonadiabatic Transitions and Chemical Dynamical Problems
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批准号:10440179
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项目类别:Grant-in-Aid for Scientific Research (B).
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资助金额:$6.27万
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财政年份:1998
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负责人:NAKAMURA Hiroki
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依托单位:
Development and Applications of the Semiclassical Theories for Nonadiabatic Transitions and Tunneling Phenomena
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批准号:09044109
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项目类别:Grant-in-Aid for international Scientific Research
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资助金额:$2.62万
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财政年份:1997
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负责人:NAKAMURA Hiroki
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依托单位:
Dynamics Theory of Chemical Reaction
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批准号:04243105
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项目类别:Grant-in-Aid for Scientific Research on Priority Areas
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资助金额:$46.34万
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财政年份:1992
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负责人:NAKAMURA Hiroki
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依托单位:
Studies on Molecular Dynamics and Chemical Reactivity
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批准号:02044155
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项目类别:Grant-in-Aid for international Scientific Research
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资助金额:$3.52万
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财政年份:1990
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负责人:NAKAMURA Hiroki
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依托单位:
Potential Energy Surface Topography and Chemical Reaction Dynamics
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批准号:63540357
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项目类别:Grant-in-Aid for General Scientific Research (C)
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资助金额:$0.83万
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财政年份:1988
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负责人:NAKAMURA Hiroki
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依托单位:
Development of pioneering theories of dynamics and interdisciplinary studies of chemical reaction phenomena
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批准号:61303001
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项目类别:Grant-in-Aid for Co-operative Research (A)
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资助金额:$2.69万
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财政年份:1986
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负责人:NAKAMURA Hiroki
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依托单位:
海外基金