Oscar González-Antonio

3 Questions 10 Answers 0 Followers

Questions related from Oscar González-Antonio

Is it possible to have UV-Vis spectra calculations including media viscosity?

I would like to perform a computational study of how solvatochromism is affected by viscosity of the medium. I usually use Gaussian as software for molecular modelling, and my question is whether...

04 July 2021 9,437 3 View

Calculations of TD-DFT including viscosity?

Hi, everyone! I am currently studying molecules with fluorescent properties which strongly depend on the viscosity of the medium it is dissolved (fluorescent viscosity sensors). I have calculated...

15 December 2020 2,545 2 View

Calculating HOMO-LUMO gap from UV-Vis spectra?

Hi everyone. I have seen in different sources that there could be 2 approaches to calculate the HOMO-LUMO gap of a compound from the data obtained via UV-Vis spectrocopy. I've seen people doing it...

10 April 2018 7,502 4 View