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There are amide compounds with stronger bridge bonding than DMAH but with faster equilibration rates. Additionally, larger ligands generally decrease the bridge binding energies, but have slower equilibration rates
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There are amide compounds with stronger bridge bonding than DMAH but with faster equilibration rates. Additionally, larger ligands generally decrease the bridge binding energies, but have slower equilibration rates.
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6h symmetry hexamer. The error from this assumption is, again, expected to be on the order of 1 kcal/mol.
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85037455636
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6h symmetry structure was minimized at the B3LYP/6-31G(d, p) level, so the actual difference (within the DFT approximation) may be slightly larger.
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