Fouad N. Ajeel

8 Questions 22 Answers 0 Followers

Questions related from Fouad N. Ajeel

What is the difference between numerical, analytical, and computational physics?

Hello for all, Kindly, I need to know the clear and proper difference between numerical, analytical, and computational physics. with warm regards Fouad

11 November 2018 5,869 0 View

Why the adsorption of molecule to the edge site is more stable than that of center of graphene ?

Hello for all, Recently, we study the adsorption of gas molecules on graphene and its implication as a gas nanosensor by DFT investigations. However, we have question, why many articles suggested...

09 September 2018 3,955 0 View

Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry ?

06 June 2018 9,943 1 View

The electronic transition of graphene ??

Hello for all, kindly, we studying the effect of impurities on the optical properties of graphene, but we found from GussSum program the electronic transition are : HOMO->LUMO...

06 June 2018 2,106 0 View

What is the different between clean process and optimization process in Gaussian 09 ?

Hello all, What is the different between clean process and optimization process in Gaussian 09 ? So that if only a clean process is done on the system it can be said to become an optimized...

05 May 2018 4,372 3 View

How to write an article review ?

Hello, kindly, How to write an article review ? Best regards

03 March 2018 1,948 0 View

How to get the total Mulliken charge for the system with GaussView ?

Hello,How to get the total Mulliken charge for the system with GaussView ? Regards

03 March 2017 7,448 4 View

How to calculate and draw Intensity with wavelength from Gaussian 9 ?

Hello all,We use DFT and Gaussian 9 software to study the optical properties for some nanoparticles. How to calculate and draw Intensity with wavelength for this nanoparticles form Gaussian ? As...

11 November 2016 3,272 0 View