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Name: TS115, wB97XD/6-311++G(d,p) 353 -933.045187
Creator: Henry Rzepa
Published: 2018
License: https://creativecommons.org/publicdomain/zero/1.0/legalcode
Keywords: InChI=1S/C16H15N3O2/c1-21-16(20)14-7-9-15(10-8-14)18-19-17-12-11-13-5-3-2-4-6-13/h2-11H,12H2,1H3, InChI=1S/C8H7N3O2.C8H8/c1-13-8(12)6-2-4-7(5-3-6)10-11-9;1-2-8-6-4-3-5-7-8/h2-5H,1H3;2-7H,1H2, JWNDNJKXAFGODO-UHFFFAOYSA-N, SFFOKLWRGCNDJQ-UHFFFAOYSA-N

TS115, wB97XD/6-311++G(d,p) 353 -933.045187

Henry Rzepa

Results published 2018 via Imperial College London

Gaussian Calculation

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https://doi.org/10.14469/hpc/4292 Cite

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TS115, wB97XD/6-311++G(d,p) 353 -933.045187

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