return to home page Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Energy > Internal Rotation > Barriers to internal rotation

Calculated Barriers to Internal Rotation or Inversion

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