[ase-users] Question about ASE

[Chuanye Xiong]

Dear ASE program developer
I'm a phd student in UC Riverside. I'm very interested in the Hindered
translator / hindered rotor model in the Thermochemistry part. (
https://wiki.fysik.dtu.dk/ase/ase/thermochemistry/thermochemistry.html?highlight=harmonic
)
However, I'm not sure whether the hindered rotor model can be used in the
physical adsorption. Here is my structure, where C3H8 is physically
adsorbed on the Boron nitride surface.

Thank you so much for your help.

Chuanye Xiong
[image: image.png]
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