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Name: BOB cycle, TS3 for catalyst regeneration O-B, amine on acid freq -1082.997352, 15.8 lower than TS2, +8.7 above reactant
Creator: Henry Rzepa
Published: 2018
License: https://creativecommons.org/publicdomain/zero/1.0/legalcode
Keywords: InChI=1S/C4H9B2O3.C3H7NO.C2H3O2.CH5N.H2O/c1-4-7-5(2)9-6(3)8-4;1-3(5)4-2;1-2(3)4;1-2;/h1-3H3;1-2H3,(H,4,5);1H3;2H2,1H3;1H2, DTMYRWHJAWKMMI-UHFFFAOYSA-N

BOB cycle, TS3 for catalyst regeneration O-B, amine on acid freq -1082.997352, 15.8 lower than TS2, +8.7 above reactant

Henry Rzepa

Results published 2018 via Imperial College London

Gaussian Calculation

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https://doi.org/10.14469/hpc/4451 Cite

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BOB cycle, TS3 for catalyst regeneration O-B, amine on acid freq -1082.997352, 15.8 lower than TS2, +8.7 above reactant

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BOB cycle, TS3 for catalyst regeneration O-B, amine on acid freq -1082.997352, 15.8 lower than TS2, +8.7 above reactant

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