We want to investigate the solid phase of 1-propanol using Molecular Dynamics, and for that, we are looking for the experimental crystal structure of this molecule (1-propanol) to use as the starting configuration.

I found the following paper (Article X-ray diffraction study of the structure of 1-propanol at 25°C

), but it studies the system probably in the liquid phase.

It would be extremely helpful if anyone could help me to get the crystal structure of 1-propanol.

More Shubhadeep Nag's questions See All
Similar questions and discussions