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Structural features, distances from hydrogen to radical center, discussed here pertain to radical intermediates.
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These radical intermediates show distinct differences in hydrogen-radical distances, which correlate well with relative activities. Computation on transition structures is more challenging and costly; such work is in progress in our group
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Structural features, distances from hydrogen to radical center, discussed here pertain to radical intermediates. We use such information to extrapolate to transition structures, which are more relevant to the observed reactivity of hydrogen abstraction. These radical intermediates show distinct differences in hydrogen-radical distances, which correlate well with relative activities. Computation on transition structures is more challenging and costly; such work is in progress in our group.
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We use such information to extrapolate to transition structures, which are more relevant to the observed reactivity of hydrogen abstraction.
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