Mustafa Mahmoud

6 Questions 8 Answers 0 Followers

Questions related from Mustafa Mahmoud

For theiss writing what voice should I use the active or the passive voice?

Is it alright if I can use both but more of an emphasis on the passive voice in the literature section and the active voice in the results and dsicussion Thanks

08 July 2020 4,434 1 View

For a singlet state system how would I know that the state I have is lowest singlet spin state in gaussian 09?

Do i just compute the system with opt and freq keyword with a dft method?

08 February 2020 8,350 3 View

How would an input for a diradical be in gaussian g09?

I want to calculate the optimised structure for a diradical in the ground state using B3lyp, how would the input for it look like interns of the method like restrictEd or unrestricted, and the...

03 February 2020 332 3 View

Is there a way to solve this gaussian error, DFT method is used?

Erroneous write. Write -1 instead of 244370432. fd = 4 orig len = 451802880 left = 244370432 g_write Erroneous write. Write -1 instead of 12718656. fd = 4 orig len = 13068224 left =...

31 October 2018 6,635 2 View

Is there a way to determine the diameter of the molecule in Gaussian in nm?

Hi, I was looking for a way to determine the diameter of a molecule in Gaussian? Thanks

27 October 2018 3,824 6 View

Is there free program or script to extract all of the dihedral angles from gaussian log file?

Is there a free program or script to extract all of the dihedral angles from gaussian log file rather then clicking them one by one? Thanks

17 April 2018 8,161 2 View