Ashkan Karimi

2 Questions 18 Answers 0 Followers

Questions related from Ashkan Karimi

What is the main electron transfer for each lambda max in Gaussian UV-Vis plot?

Hello, I did some computations for obtaining the UV-Vis spectra of some compounds. I want to know each lambda max belongs to which electron transfer. In the output file, there are more than one...

09 September 2017 8,477 7 View

How to use Gaussian for study the triplet-triplet energy transfer?

I want to design a donor and acceptor molecules which can undergo triplet-triplet electron transfer. How should I use Gaussian to find that? I taught maybe I should compare the donor LUMO (in T1...

08 August 2017 1,544 2 View