Fig. 6
From: DFT and quantum mechanical investigation of polyethylene and polypropylene monomers
Reaction pathway of propylene hydration using GGA approximations (PBE and BP), (a) without vdW and (b) with vdW corrections.
Fig. 6 | Scientific Reports
From: DFT and quantum mechanical investigation of polyethylene and polypropylene monomers
Reaction pathway of propylene hydration using GGA approximations (PBE and BP), (a) without vdW and (b) with vdW corrections.
