Ahmed I. A. Abd El Mageed

2 Questions 5 Answers 0 Followers

Questions related from Ahmed I. A. Abd El Mageed

How to evaluate quantitatively the molecular presence on the carbon nanotube surface ?

I'm interested in supramolecular structures of large pi-molecules on SWNT surface I'm wonder how to evaluate the molecular presence on the tube surface quantitatively ? In other words, how...

20 June 2018 4,291 3 View

How can I calculate basis set superposition error (BSSE) ?

Dear all, I'm doing some DFT calculations for a complex system composed of SWNT and porphyrin using Gaussian 09 package, however I succeed to calculate the binding energy of my system, but the...

28 July 2016 2,030 5 View