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Questions related from Ahmed I. A. Abd El Mageed
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 4,361 3 View
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 2,072 5 View
In fact, however I tried to use the basis set 6-31G(d,p) many times even with WB97X-D or M05-2X functionals But the calculations always being terminated with segmentation violation error ! Any...
05 May 2016 5,211 8 View
