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 mPW1PW91 /aug-cc-pVTZ

Reaction
H + H2 = H2 + H
H + NH3 = H2 + NH2
HCN = CNH
H + PH3 = H2 + PH2
OH + CH4 = H2O + CH3