17325 2 62398 document 17325 transitionstates_pm6.zip application/zip ef951848c5a518dd4d10558366cecdb0 MD5 9730828 2023-08-17 14:56:30 https://researchdata.bath.ac.uk/1240/10/transitionstates_pm6.zip 1240 10 10 application/zip other Gaussian 16 output files for the 1000 aza-Michael addition reaction transition states, single-point energies using the PM6 semi-empirical method with the IEFPCM(water) implicit solvent model. en public cc_by

transitionstates_pm6.zip

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