4 Questions 3 Answers 0 Followers
Questions related from Youness Khaddam
Hello every one. I need to convert chk to fchk file for plotting Transition Density Matrix(TDM ) King regards.
19 December 2022 3,815 0 View
I’m trying to submit another calculation now in B3LYP 6-31/G(d,p) and shown another two error messages: error #2070 all processing of the last link ended abnormally, all process has been...
20 October 2022 8,637 0 View
I want to know the difference between 6-31G(d,p) basis set and 6-311g(d,p) basis set, in order to choose the best base set which reproduces the experimental data. thank you so much.
08 September 2022 6,319 3 View
Hello, please, I want to know how to interpret the transition density matrix maps, obtained for the conjugated organic molecules applied in solar cells?
24 October 2021 5,496 3 View
