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High-spin LiCoPO4 and CoPO4 ground states had also previously been predicted using DFT plus Hubbard U (DFT+U) calculations, and self-consistently calculated effective Hubbard U parameters for Co2+ and Co3+.
A parametric study was performed to investigate the effect of nanoreinforcement morphology, volume fraction, orientation, and nanoreinforcement resin interphase properties on calculated effective thermal conductivities.
The maximum calculated effective neutron multiplication factor of approximately 0.89 was below the 0.91 upper subricital limit.
From the calculated effective diffusivity, De, and kinetic constant, k, the diffusion resistance controlled the overall reaction rate of bulk oxide sorbent.
The validity of the model is tested by applying it to a set of model structures and comparing calculated effective conductivity values against analytical results.
For each compound it was calculated effective concentration 50 (EC50) by linear regression.
d means the calculated effective masses of electron-hole pairs and surface potential illustration.
By using Maxwell-Garnett model, we calculated effective dielectric permittivity of the MDN using both Drude model and Johnson and Christy data for complex dielectric function of metal.
Though some climate variables considered in our analysis combined elements of precipitation and temperature such as mean temperature of the wettest month, none explicitly calculated effective levels of moisture.
S_osmC, calculated osmolality; S_osmE, calculated effective osmolality.
We further calculated effective maximum diameter from these segmented volumes.
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