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.

我们已经研究了许多体化学系统的复杂性和特异性的分子来源，例如液相和生物分子中的化学反应动力学。这些系统的反应动力学涉及波动和集体分子运动。已经进行了实验研究和理论研究，如何观察导致特定反应的最重要运动，这些动作嵌入了许多粒子随机运动的噪声中。开发了这些方法来处理势能表面（GPES）的全球性质和该GPES上的动态。开发了高度非线性闪光光解技术，尤其是在红外区域，以处理复杂系统的相空间动力学和瞬时分级技术，以检测分子尺度和超快时域中的热流动。检查了细菌视紫红质和DNA分子的反应，以了解我们为什么在生物分子反应中始终发生特定过程。研究了对氢液体中化学反应的量子作用。除了在1999年和2001年在京都举行了五次国际会议，在今年（2002年）中进行了两次国际会议。该研究项目的成员已被邀请参加许多（100多个）国际会议。该项目在该项目下发表了260多篇论文。我们还邀请了几位杰出的外国科学家从事合作著作。