Tuesday, February 14, 2017

books - References for Transition State Theory and Quantum Transtion State Theory


Having asked recently this, I started to look for good references and notes on Transition State Theory and, also, modern versions of it including things like tunneling (which isn't taken into account in Eyring's equation).


Unfortunately, I haven't been able to find any satisfactory reference. I have downloaded a bunch of lecture notes and gained conceptual understanding of TST, but nowhere do I find a explanation with all the mathematical details.


What could you recommend for a thorough and detailed exposition of the TST?


Also, I would like to find stuff about how the theory has been improved over the years (the theory is mainly classical). I guess there are more accurate quantum mechanical versions of the theory.


Thanks a lot.



Answer




There are many sources that you can check out, in particular the reviews of Truhlar:



This article was used in my undergraduate course of chemical kinetics, so I think that it could be a good source. Also we used:



Maybe they are a bit outdated, but they are good as start points. The abstract of this newer article make it seems to be useful for you



To deeply understand the theory statistical physics is a must. A good source (that also deals with TST) is the Ralph H. Fowler's book.


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