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The resulting trends of relative transition state energy are in excellent agreement with the experimental observations.
This convergence condition can also be expressed as the mean squared of relative transition differences: H_{t}=N^{-1}sumlimits_{i=1}^{N}(h_{it}-1)^{2} (3).
Long-range effects cause a failure of TDDFT using ab initio and hybrid functionals to predict even relative transition energies in spite of a small degree of charge transfer.
Relative transition time was expressed as a percentage of overall race times using the equation 100/overall race times × transition times.
Compared to a 50-year-old, the relative transition rate was 2.51 for a 60-year-old, and for patients between 60 and 70 years of age the transition rate increased by a factor of 4.52.
Therefore, assuming all other covariates have the same values for each age at diagnosis compared to a patient aged 35.4 years (the mean age of diagnosis), the relative transition rate was 1.58 for a patient aged 50 years.
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10 Previous calculations on fluoride arylation with unsymmetrical heteroaryl salts have shown that chemoselectivity predictions must be based on relative transition-state (TS) energies rather than the stability of the T-shaped intermediates.
Thus, this result confirms the above-stated fact that chemoselectivity predictions must be based on the relative transition-state energies rather than on the relative energies of the T-shaped intermediates.
To investigate and explain sources of various kinds of selectivities, in particular enantioselectivity, one has typically to reproduce relative transition-state energies on the order of 1 kcal mol−1.
According to the figures reported in Table 2, the Turkish labor market seems somewhat static with substantially low rates of transitions between labor market states relative to transition rates within the states.
In relative terms, transition times were faster in 'Ironman 70.3'compared to 'Ironman Hawaii' during 2006-2013.
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