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2 bridge in TS2b4 differs from that of the reactant 2b; for the latter, no other conformer than that depicted in Figure 2 could be located.
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64
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84962420906
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As opposed to the indirect effect stemming from the change in geometrical parameters upon solvation.
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66
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84962420910
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3 bond angle through the apexes is reduced from the ideal value of 180° to 151° (BP86/AE1).
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