Shedrack G. Akpe

5 Questions 15 Answers 0 Followers

Questions related from Shedrack G. Akpe

How can I prepare a flat Carbon nanotube structure like this?

How can I prepare a flat CNT structure with either Materials studio, Chemdraw, or with any free software tool. Thank you.

08 February 2020 3,182 4 View

How can I retain the configuration of added functional groups in MOFs crystal using MS Studio?

Adding functional groups like NH2 to MOFs crystals using Materials Studio, I have succeeded in changing ortho Hydrogen atoms in the Benzene rings to NH2. However, each time, I click on 1P1 via...

06 August 2019 8,047 0 View

Different Total Energy values with different modules in Material Studio, why?

Hello men and brethren, I started studying Material studio (MS) recently having commenced Gaussian 09 (DFT calculations) previously. What I noticed almost discouraged me from continuing with MS....

01 January 1970 8,558 5 View

Chemdraw, Chem3D, Gaussview, Avogadro. How to bind molecules?

Hello all. I am working on aqueous adsorption of pharmaceuticals with MOF, COF, and generally nano materials. I am a bit familiar with the above tools most especially Chemdraw. I wish to...

01 January 1970 973 2 View

Armchair & Zigzag shaped carbon. How to draw?

I was studying a research paper on DFT calculation for the adsorption of H2S with activated carbon. On two different report, they simulated the carbon using 4 to 7 benzene cluster rings. I tried...

01 January 1970 707 4 View