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. 2015 Jan 30;54(16):4796–4800. doi: 10.1002/anie.201411399

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© 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

© 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

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A) Orbital energy diagram of structures ^4,61 and ^4,62. B) Correlation between the sextet–quartet energy splitting (ΔG_SQ) and the hydrogen-bond energy strength (ΔE+ZPE_HBond), which is defined as the energy of the hydrogen-bonded complex with respect to three isolated species.