return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which barriers to internal rotation calculations are completed at ROHF /3-21G

Species Name Rotor type
C2H5 Ethyl radical CH3
CH3OO methylperoxy radical CH3
C6H5CH2 benzyl radical CH2