Bruno Cramer

3 Questions 12 Answers 0 Followers

Questions related from Bruno Cramer

Using Material Studio I understand that you can simulate polymer blends. Is polymers proportion included?

Looking at the Internet available Material Studio tutorials for polymer blends, I understand that you can simulate the blends but the procedure does not include the polymers proportions amongst...

05 May 2019 4,450 3 View

What is the Psi4 command equivalent to the Gaussian nosymm ?

Hi, I am using "no_reorient" together with "nocom" in the SinglePoint script in the Psi4 program. Seven scripts have the same cartesian coordinates differing only by an applied EField (e.g.,...

07 July 2017 8,356 2 View

Wfn or wfx output

Dear all, does any body know an OPENSOURCE program (academic license is also wellcome) where I can optimize the molecular structure geometry specifying the EField and its effect according to...

06 June 2017 2,232 5 View