9 datasets found

This trajectory begins from a vacuum-deposition simulation of 5 wt% Ir(ppy)2(acac):CBP on graphene that has just reached an approximate film thickness of 12.5 nm (replica 1 of...

A layer of water was placed over a vacuum deposited 6wt% Ir(ppy)2(acac):CBP organic thinfilm. No water was placed within the film. Water spontaneously diffused into the film...

20 oxygen molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 3 of 3).

20 oxygen molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 2 of 3).

20 oxygen molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 1 of 3).

20 water molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 3 of 3).

20 water molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 2 of 3).

20 water molecules were inserted at random positions within a vacuum deposited 6wt% Ir(ppy)2(acac):CBP thinfilm and allowed to diffuse (replicate 1 of 3).

A lipid bilayer consisting of 512 POPC molecules with pre-formed pore and 4 RTD-1 (Rhesus Theta Defensin), repeat 1, TauP has been changed at 50ns of the simulation