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我的分子反应动力学和光谱学轨迹。

My Trajectory in Molecular Reaction Dynamics and Spectroscopy.

机构信息

The Fritz Haber Research Center and Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904, Israel; email:

Department of Chemistry, University of California, Irvine, California 92697, USA.

出版信息

Annu Rev Phys Chem. 2021 Apr 20;72:1-34. doi: 10.1146/annurev-physchem-090519-124238. Epub 2021 Dec 4.

Abstract

This is the story of a career in theoretical chemistry during a time of dramatic changes in the field due to phenomenal growth in the availability of computational power. It is likewise the story of the highly gifted graduate students and postdoctoral fellows that I was fortunate to mentor throughout my career. It includes reminiscences of the great mentors that I had and of the exciting collaborations with both experimentalists and theorists on which I built much of my research. This is an account of the developments of exciting scientific disciplines in which I was involved: vibrational spectroscopy, molecular reaction mechanisms and dynamics, e.g., in atmospheric chemistry, and the prediction of new, exotic molecules, in particular noble gas molecules. From my very first project to my current work, my career in science has brought me the excitement and fascination of research. What a wonderful pursuit!

摘要

这是一段关于理论化学职业生涯的故事,当时由于计算能力的显著提高,该领域发生了巨大的变化。同样,这也是我在整个职业生涯中有幸指导的那些极具天赋的研究生和博士后的故事。其中包括我对曾经的伟大导师的回忆,以及与实验家和理论家进行的令人兴奋的合作,我的大部分研究都是基于这些合作。这是对我所参与的令人兴奋的科学学科的发展的描述:振动光谱学、分子反应机制和动力学,例如在大气化学中的应用,以及对新的、奇异分子的预测,特别是稀有气体分子。从我的第一个项目到我目前的工作,我的科学职业生涯带给我研究的兴奋和魅力。多么美妙的追求!

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