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All geometries have been fully optimized. The stability of the wave function has been verified. The transition states have been confirmed by frequency calculations to have one negative eigenvalue
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All geometries have been fully optimized. The stability of the wave function has been verified. The transition states have been confirmed by frequency calculations to have one negative eigenvalue.
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18
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0342320589
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The intrinsic reaction coordinate traces the minimum energy pathway from transition state to reactants and products
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The intrinsic reaction coordinate traces the minimum energy pathway from transition state to reactants and products.
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