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发展具有产物量子态分辨的反应动力学程序,以利用现有的计算资源,尽可能快速的完成对复杂体系的反应动力学研究,是反应动力学理论研究的重要方向.最近几年,针对三原子和四原子反应体系,我们发展了各种能够实现产物量子态分辨的反应动力学的理论方法.
态-态分辨的量子反应动力学理论方法发展及其应用
【摘 要】
：
发展具有产物量子态分辨的反应动力学程序,以利用现有的计算资源,尽可能快速的完成对复杂体系的反应动力学研究,是反应动力学理论研究的重要方向.最近几年,针对三原子和四原
【机 构】
：
大连化学物理研究所分子反应动力学国家重点实验室
【出 处】
：
第十三届全国量子化学会议
【发表日期】
：
2017年6期
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