[SePe]

Hello everyone,

I'm studying energy engineering and am currently attending a "Molecular Thermodynamics" course.
I'm wondering whether somemone could help me out and tell me what's the difference between a relaxed and an unrelaxed 1D-Hindered-Rotor since I couldn't find anything useful on my own.

Regards,
Sebastian

[juanrga]

Hello everyone,

I'm studying energy engineering and am currently attending a "Molecular Thermodynamics" course.
I'm wondering whether somemone could help me out and tell me what's the difference between a relaxed and an unrelaxed 1D-Hindered-Rotor since I couldn't find anything useful on my own.

Regards,
Sebastian

For the relaxed PES all internal coordinates except for the rotational coordinate are optimized at each given value of Phi