Research

Cholesky decomposition (CD) of the two-electron integrals and the resolution-of-identity (RI) techniques are established inner projection...

In this part, I studied the mechanochemical effect of pulling on chemical reactivity. I developed a code that employs the FMPES (Force...

Mechanical Pushing Induced Selective Cyclopropanation Reaction in Ag(111) Surface This work employs DFT (Density Functional Theory)...

In this system, the effect of isotropic and anisotropic strain in a catalytic surface is being studied. Specifically, the CO...

Role of Vicinal H bonding Groups to Organic Acid Catalyzed Glucan Hydrolysis In this work, we studied the effect of hydrogen bonding...

Malaria parasites include five plasmodium species specifically Plasmodium falciparum, P.vivax, P.ovale, P. malariae P. knowlesi which are...