Aqeel A. Hussein

3 Questions 14 Answers 0 Followers

Questions related from Aqeel A. Hussein

Reformation and Improvement of Higher Education System: Academic Community?

Please friends suggest your opinions on how could you reform the higher education systems (Universities)... Thank you very much and I appreciate it for you all. Best Wishes Aqeel

11 November 2019 1,505 4 View

Does anyone have an information about the big difference in Free energy of reaction between M06-2X and B3LYP?

When I compare B3LYP and M06-2X functional in terms of thermodynamic I see a big difference even more than 25 kcal/mol, Where M06-2X shows lower energy than B3LYP. But, I couldn't see anything...

04 April 2018 2,588 4 View

Transition state Modeling Calculations

If anyone interested in transition state calculations with both potential energy surfaces and molecular dynamics approaches by means of DFT simulations, please get in touch for further details....

01 January 1970 4,119 2 View