Asheesh Kumar

2 Questions 11 Answers 0 Followers

Questions related from Asheesh Kumar

Kindly tell how to do the MD simulation of the graphene in detail ?

I wish to study the interaction of the drug and graphene via MD simulation. Kindly help. I will be obliged to you and will definitely work in collaboration that would result in a number of good...

01 January 1970 7,269 4 View

How to decide the most interacting orbitals in Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis?

In gaussian, NBO analysis is done but I am not confidently able to decide the number of interacting molecules under the heading of Second Order Perturbation Theory Analysis of Fock Matrix in NBO...

01 January 1970 3,224 8 View