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 transition state energy calculations are completed at B3LYP /3-21G

Reaction
H + H2 = H2 + H
CH4 + F = CH3 + HF
CH3CH2Cl = CH2CH2 + HCl
H + H2O = H2 + OH
H + NH3 = H2 + NH2
H + CH4 = H2 + CH3
H + SiH4 = H2 + SiH3
HCN = CNH
H + PH3 = H2 + PH2