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For Sn0.96Co0.04O2, the observed magnetic metastability and energy barrier were obtained for the spin crossover between the m = 3 and 1 μB/cell states.
ZPE corrections to the classical barrier were obtained simply by taking the difference between the sum of real-valued harmonic vibrational frequencies at the transition state and at the physisorbed (initial) state.
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An optimal design of the concrete barrier was obtained by the GA and was shown to have improved safety performance over the original design.
Therefore, a reduced grain boundary barrier is obtained, leading to an increase in carrier mobility.
The critical sizes and nucleation barriers were obtained through both the classic theory for homogeneous nucleation and atomistic calculations.
Energy barriers were obtained for the spin crossover between the m = 0 and 2 μB/cell and between the m = 2 and 4 μB/cell states in Sn0.96Fe0.04O2.
The odds ratios (ORs) and corresponding 95% confidence intervals (CIs) for potential barriers were obtained from regression analyses.
This self-consistent process is iterated until the difference in charge density between cycles is less than one electron per layer and square meter and the final injection barriers are obtained as Δe=EF−EA and Δh=IE−EF.
By doing so, the energy barriers are obtained at various classifications of GBs for dislocation transmission through the GB and dislocation nucleation from the GB.
Information describing the existing health care delivery system, perceived needs, and barriers was obtained through extensive open-ended interviews that were conducted with a convenience sample of 30 health care workers (HCWs) who worked in the bateys.
These barriers are obtained in off-lattice KMC simulations and will be discussed in more detail in section 7.
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