Alejandro Martinez

3 Questions 11 Answers 0 Followers

Questions related from Alejandro Martinez

Hello everyone, how can I calculate the free energy of a reaction in solution using Gaussian?

Hello everyone, how can I calculate the free energy of a reaction in solution using Gaussian? if it is known that: DG (sol) = DE (gas) + DG (temperature) + DG (solvation) thanks in advance.

08 August 2018 9,707 1 View

Hi how can i fix the problem of negative frequencies?

Hi. I am running some optimization and frequency calculations with Gaussian 09 and I see several negative frequencies, I did the calculations several times and the problem continues. for my...

01 January 2018 5,416 0 View

How can we calculate the emission spectrum of a molecule using Gaussian?

How can we calculate the emission spectrum of a molecule using Gaussian?I want to know how we can determine the emission spectra of a molecule using Gaussian (also the keywords) and the...

08 August 2017 7,410 7 View