Electron transfer and protein transfer reactions in salvation and protein environments
Electron transfer and protein transfer reactions in salvation and protein environments
批准号:
10206210
负责人:
TANIMURA Yoshitaka
金额:
$10.94万
依托单位国家:
日本
项目类别:
Grant-in-Aid for Scientific Research on Priority Areas (B)
财政年份:
1998
资助国家:
日本
项目状态:
已结题
起止时间:
1998 至 2000
中文摘要
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英文摘要
We employ various statistical mechanical models, such as a quantum Brownian oscillator system with nonlinear system-bath interactions and a quantum dissipative rotator to study dynamics of molecules in condensed phases and we demonstrate how the differences of models reveal on two-dimensional spectroscopy as profiles of signals. Calculations of multi-time correlation functions of molecular coordinate, which are the observables of two-dimensional spectroscopy, are based on newly developed path-integral and quantum Fokker-Planck formalisms. For nonlinear system-bath coupling model, we calculate the three and four-time correlation functions, which corresponds to fifth-order Raman and infrared photon echo measurements, by solving Gaussian-Markovian Fokker-Planck equation and show an interesting change of signal profiles corresponding to the homogeneous and inhomogeneous distribution of system oscillators which are set by a noise correlation time. For damped rotator case, we obtained analytical solution of multi-time correlation functions by using analytical expression of generating functional and show that quantum effects play a minor role in two-time correlation functions, but play a major role In four-time correlation functions.Our results in three years (1998-2001) are published as nine scientific papers of JCP and CPL, etc.
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K.Okumura, A.Tokmakov, Tanimura: "Structural information from two-dimensional fifth-order Raman spectroscopy"J.Chem.Phys.. 111. 492-503 (1999)
K.Okumura、A.Tokmakov、Tanimura:“二维五阶拉曼光谱的结构信息”J.Chem.Phys.. 111. 492-503 (1999)
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K. Okumura, D. M. Jonas, and Tanimura: "Multi-dimensional vibrational spectroscopy measured from different phase-matching conditions"Chem. Phys.. 266. 237-250 (2001)
K. Okumura、D. M. Jonas 和 Tanimura:“从不同相位匹配条件测量的多维振动光谱”Chem。
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Y.Tanimura: "The 5th-and 7th-order 2D Roman spectroscopy for intramolecular vibrational modes"Proc.of Two-Dimensional Correlation Spectroscopy (AIP). (2000)
Y.Tanimura:“分子内振动模式的 5 阶和 7 阶 2D Roman 光谱”Proc.of 二维相关光谱 (AIP)。
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Y.Tanimura, T.Steffen: "The Fifth and Seventh Order 2D Raman spectroscopy for harmonic system with Nonlinear system-bath interactions:Gaussian-Markovian case"J.Phys.Soc.Jpn.. 69. 4095-4106 (2000)
Y.Tanimura, T.Steffen:“具有非线性系统-浴相互作用的调和系统的五阶和七阶二维拉曼光谱:高斯-马尔可夫案例”J.Phys.Soc.Jpn.. 69. 4095-4106 (2000)
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Y.Suzuki, Y.Tanimura: "Quantum theory of 2D rotator in a dissipative environment:Application to infrared spectroscopy"J.Phys.Soc.Jpn.. 70. 1167-1170 (2001)
Y.Suzuki、Y.Tanimura:“耗散环境中二维旋转器的量子理论:在红外光谱中的应用”J.Phys.Soc.Jpn.. 70. 1167-1170 (2001)
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共 15 条
Reduced Hierachal Equations of Motion for Exciton and electron transfer ssystems: Application to nonlinear response
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批准号:26248005
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项目类别:Grant-in-Aid for Scientific Research (A)
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资助金额:$24.96万
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财政年份:2014
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负责人:TANIMURA Yoshitaka
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依托单位:
Theoretical study of detection and control of quantum coherence using a multi-dimensional spectrum
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批准号:22350006
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$12.06万
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财政年份:2010
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负责人:TANIMURA Yoshitaka
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依托单位:
Theoretical studies of multidimensional NMR, X-ray, and Infrared spectroscopies
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批准号:19350011
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$12.56万
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财政年份:2007
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负责人:TANIMURA Yoshitaka
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依托单位:
Exploring a free energy landscape of frustrated system by means of multi-dimensional spectroscopes
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批准号:15205005
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项目类别:Grant-in-Aid for Scientific Research (A)
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资助金额:$27.96万
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财政年份:2003
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负责人:TANIMURA Yoshitaka
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依托单位:
Development of computer programs for two dimensional Raman and Infrared vibrational spectroscopy
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批准号:12440171
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$3.39万
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财政年份:2000
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负责人:TANIMURA Yoshitaka
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依托单位:
Higher order off-resonat optical processes for homogeneous and inhomogeneous broadening of liquids
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批准号:08640657
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项目类别:Grant-in-Aid for Scientific Research (C)
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资助金额:$0.64万
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财政年份:1996
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负责人:TANIMURA Yoshitaka
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依托单位: