Trying to find the TS of a organic reaction using Gaussian..I m doing PES scan trying to find the saddle point and frequency optimize to make sure there is an imaginary frequency..then using that coordination i will do TS optimize to see the TS..Is this the possible way of ding this or there are more advanced and reliable way to find TS?
Joseph Ojo
try it and see if it works, it works for some systems and it does not work for some, though I'm also new in this field, but i've got some couples of Transition states using PES scan, but sometimes i try to no avail
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Janek Wysoglad
Have you heard of the QST2 or QST3 methods or have you already tested them? If not, you can use the search here at RG to find detailed descriptions and information.
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