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During the transformations of L1-Int3b → L1-Int3a' and L1-Int3b → L1-Int3c, the major contribution to the free energy comes from the entropy.
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During the transformations of L1-Int3b → L1-Int3a' and L1-Int3b → L1-Int3c, the major contribution to the free energy comes from the entropy.
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168
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78650597496
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3 is calculated to be highly endergonic, that is, +13.6 and +34.0 kcal/mol for the alcohol and amine groups, respectively.
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3 is calculated to be highly endergonic, that is, +13.6 and +34.0 kcal/mol for the alcohol and amine groups, respectively.
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169
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78650618781
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- substitution/nucleophile coordination pathway together with direct reductive elimination on L1-Int5a / L1-Int5b are provided in Supporting Information.
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- substitution/nucleophile coordination pathway together with direct reductive elimination on L1-Int5a / L1-Int5b are provided in Supporting Information.
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