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Reaction Dynamics in Manybody Chemical Systems---Complexity and Specificity of Chemical Dynamics and its Quantum Effects---

多体化学系统中的反应动力学---化学动力学的复杂性和特异性及其量子效应---

基本信息

批准号：
10206101
负责人：
OHMINE Iwao
金额：
$ 18.62万
依托单位：
Nagoya University
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
起止时间：
1998 至 2001
项目状态：
已结题

项目摘要

We have investigated the molecular origin for the complexity and specificity of manybody chemical systems, such as chemical reaction dynamics in liquid phase and biomolecules. The reaction dynamics of those systems involves fluctuations and collective molecular motions. Experimental and theoretical studies have been made how to observe the most important motions leading to the specific reaction, which are imbedded in the noise of many particle random motions.. The methods were developed to deal with global nature of the potential energy surfaces(GPES) and the dynamics on this GPES. Highly nonlinear flash photolysis technique, especially in Infra-red region, was developed to deal with the phase space dynamics of the complex systems and Transient Grading technique for detect heat flow in molecular scale and in ultrafast time domain. Reactions of Bacteria rhodopsin and DNA molecules were examined to find our why the specific process always take place in biomolecular reactions. Quantum effects on vibrational relaxation and reaction dynamics were investigated for chemical reactions in hydrogen liquid.Two international conferences in addition to five domestic conferences were held at Kyoto in 1999 and 2001.In this year (2002) we summarize the report of whole three years activities (1998-2001) which contains more than 200 pages. Members of this research projects have been invited to many (more than 100) international conferences. More than 260 papers were published under this project. We also invited several distinguished foreign scientists to pursue the cooperative works.

我们已经研究了多体化学系统的复杂性和特异性的分子起源，例如液相中的化学反应动力学和生物分子。这些系统的反应动力学涉及波动和集体分子运动。实验和理论研究已经取得了如何观察最重要的运动导致特定的反应，这是嵌入在许多粒子随机运动的噪声。发展了处理势能面的全局性质和势能面上的动力学的方法。高非线性闪光光解技术，特别是红光区的闪光光解技术被发展用于处理复杂体系的相空间动力学，瞬态梯度技术被发展用于在分子尺度和超快时间域探测热流。研究了细菌视紫红质与DNA分子的反应，探讨了生物分子反应中发生特定过程的原因。本文综述了1999年和2001年在日本京都召开的两次国际会议和5次国内会议的研究结果，总结了1998-2001年三年来的研究成果，共200多页。该研究项目的成员应邀参加了许多（100多个）国际会议。在该项目下发表了260多篇论文。我们还邀请了几位杰出的外国科学家进行合作工作。