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Name: Ph-Stevens, 1,2 with inversion "allowed" UHF TS for C-N bond formation G = -522.799570
Creator: Henry Rzepa
Published: 2021
License: https://creativecommons.org/publicdomain/zero/1.0/legalcode
Keywords: -522.799570, InChI=1S/C7H7.C5H12N/c1-7-5-3-2-4-6-7;1-5(2)6(3)4/h2-6H,1H2;1-4H3, InChI=1S/C12H19N/c1-11(2)13(3,4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3, AGIREAUBRBDKSA-UHFFFAOYSA-N, DEBJOBSQZMRNET-UHFFFAOYSA-N

Ph-Stevens, 1,2 with inversion \"allowed\" UHF TS for C-N bond formation G = -522.799570

Henry Rzepa

Results published 2021 via Imperial College London

Gaussian Calculation

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https://doi.org/10.14469/hpc/7833 Cite

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Ph-Stevens, 1,2 with inversion \"allowed\" UHF TS for C-N bond formation G = -522.799570

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Ph-Stevens, 1,2 with inversion \"allowed\" UHF TS for C-N bond formation G = -522.799570

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