|Computational Chemistry Comparison and Benchmark DataBase Release 21 (August 2020) Standard Reference Database 101 National Institute of Standards and Technology|
|You are here: Calculated > Energy > Internal Rotation > Barriers to internal rotation|
Please enter the chemical formula or click on an entry below.
Species with internal rotation data.
The listed barrier is from computations at HF/6-31G*
and represents the maximum barrier.
Barrier is in kJ mol-1.
Click on heading to sort.
|Hill||Species||Name||Approx. rotor type||Barrier|