Jeu de données - ACSC Molecular Simulation Data Repository

Solution Processed 5wt% Ir(ppy)2(acac):CBP organic thinfilm

A simulation of a 5wt% Ir(ppy)2(acac):CBP organic thinfilm that is being formed by solvent evaporation. The solvent used is chloroform. All 11 files are from different stages of...
- gro
- itp
- tpr
- log
- top
- mdp
- edr

Vous pouvez également accéder à ce catalogue en utilisant l'API (cf. Documentation de l'API).