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Name: peracid epoxidation of nitroethene, Def2-TZVPPD/DCM/M062X, PT preceding C-O formation, TS -587.197480 Activation free energy 32.2
Creator: Henry Rzepa
Published: 2018
License: https://creativecommons.org/publicdomain/zero/1.0/legalcode
Keywords: -587.197480, InChI=1S/C2H3NO2.C2H4O3/c1-2-3(4)5;1-2(3)5-4/h2H,1H2;3H,1H3, JVYXOINCZYOYEY-UHFFFAOYSA-N

peracid epoxidation of nitroethene, Def2-TZVPPD/DCM/M062X, PT preceding C-O formation, TS -587.197480 Activation free energy 32.2

Henry Rzepa

Results published 2018 via Imperial College London

Gaussian Calculation

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https://doi.org/10.14469/hpc/3622 Cite

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peracid epoxidation of nitroethene, Def2-TZVPPD/DCM/M062X, PT preceding C-O formation, TS -587.197480 Activation free energy 32.2

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peracid epoxidation of nitroethene, Def2-TZVPPD/DCM/M062X, PT preceding C-O formation, TS -587.197480 Activation free energy 32.2

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