SOME CONCEPTS IN REACTION DYNAMICS
SOME CONCEPTS IN REACTION DYNAMICS
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DOI：
10.1021/ar50053a001
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发表时间：
1972-01-01
影响因子：
18.3
通讯作者：
POLANYI, JC
中科院分区：
文献类型：
--
作者：
POLANYI, JC
1929年，我在伦敦发表了薛定谔方程的一个非常近似的解，用于一个化学系统：Hs。从某种程度上说，化学可以被看作是独立于物理学而存在的，这是化学史上的一个里程碑，其重要性可与物理学史上以H2的希特勒-伦敦方程的出现为标志的里程碑相媲美。“氢”的表述必然比“氢”的表述更不准确，但化学家们，就像惯常的穷人一样，已经习惯了这种不幸。他们和物理学家们一起享受着生活在文艺复兴时期的感觉。物理学家仍然不能计算出他们感兴趣的大量东西，化学家的计算能力更少，但他们现在都能做梦了。很容易说他们的梦想是无限的电脑时间的梦想。他们的梦想比这更有成效。在伦敦发表他的方程两年后，H. Eyring和M. Polanyi8获得了H3的第一个数值能量面。他们在伦敦方程中加入了一种经验主义的测量方法，得出了一个能量面，不管它在细节上是否正确，都为进一步的重要推测提供了基础。4
In 1929 London1 published a very approximate solu-tion of the Schroedinger equation for a system of chemi-cal interest: Hs. To theextent that chemistry can be regarded as existing separately from physics, this was a landmark in the history of chemistry, comparable in importance to the landmark in the history of physics marked by the appearance of the Heitler-London2 equation for H2. The expression for Hs, was, of neces-sity, even less accurate than that for H2, but chemists, like the habitual poor, were accustomed to this sortof misfortune. Together with the physicists they enjoyed the sensation of living in a renaissance. The physicists still could not calculate a great deal that was of interest to them, and the chemists could calculate less, but both could now dream.It would be too easy to say that their dreams were dreams of unlimited computer time. Their dreams were a lot more productive than that. Two years after London published his equation, H. Eyring and M. Polanyi8 obtained the first numerical energy surface for H3. They infused the London equation with a measure of empiricism to produce an energy surface which, whether or not it was correct inits details, provided a basis for further speculations of an important sort. 4