Dear All,
I would like you to help me solve a problem in Gaussian.
The intention is to evaluate the influence of temperature on the cis/trans isomerization process for a certain compound. Once the transition state (opt+freq) was optimized, the corresponding IRC was performed. We would like to know how temperature influences this process, either by sweeping or testing two different temperatures.
We have tested with the Temperature=XX command and what we observe is that the PES given by IRC present the same values at 10 K and 298 K. I would like to know if I am making correct use of the command, in order to achieve an adequate interpretation of the results that returns the calculation.
Thanks in advance
Greetings