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Name: PhI-CC + CC-IPh, 1,1-TS, Def2-SVPD Cs symmetry G = -1210.027145 ΔG = 19.9 IRC
Creator: Henry Rzepa
Published: 2020
License: https://creativecommons.org/publicdomain/zero/1.0/legalcode
Keywords: InChI=1S/2C8H6I/c2*1-2-9-8-6-4-3-5-7-8/h2*3-7,9H, InChI=1S/2C6H5.2C2I/c2*1-2-4-6-5-3-1;2*1-2-3/h2*1-5H;;, GZJIHWDQOYLHES-UHFFFAOYSA-N, WUJJGOQJVLJSFK-UHFFFAOYSA-N

PhI-CC + CC-IPh, 1,1-TS, Def2-SVPD Cs symmetry G = -1210.027145 ΔG = 19.9 IRC

Henry Rzepa

Results published 2020 via Imperial College London

Gaussian Calculation

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https://doi.org/10.14469/hpc/7625 Cite

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PhI-CC + CC-IPh, 1,1-TS, Def2-SVPD Cs symmetry G = -1210.027145 ΔG = 19.9 IRC

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PhI-CC + CC-IPh, 1,1-TS, Def2-SVPD Cs symmetry G = -1210.027145 ΔG = 19.9 IRC

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