Muhammad Fahad Arshad

4 Questions 3 Answers 0 Followers

Questions related from Muhammad Fahad Arshad

Chemical Conversion of gas (CH4) by visible region (green) based laser?

I want to convert methane without any sort of catalyst to another gas. can the researchers please share some guidelines to do that. Is it possible for this conversion may be some mathematical...

25 October 2021 6,955 2 View

Crystal growth through DFT?

Hello everyone I wanted to do TS search upon the growth of a Cu2O crystal. Can anyone suggest another technique or an appropriate way to use DFT calculation for Transition state calculation for...

25 July 2019 8,562 2 View

Determination of heterogeneous catalytic system rate constant?

Does anybody know to calculate rate constants for heterogeneous catalytic systems through Arrhenius equation. Can somebody refer a software that can deal with those calculations? I have been using...

29 May 2019 5,094 0 View

Optimization of TMOs through DFT in Gauss view?

Hello everyone I have successfully drawn CuO structure in Gauss view through PBC, I need to know what are the appropriate parameters in functional and basis set in order to successfully optimize...

20 May 2019 253 3 View