Detonation heat of MDF charge was calculated based on Kamlet equations and experimental results.
Consequently, the effective anionic charge density of polycarboxylates in cement pore solution can differ significantly from the charge density which is calculated based on the chemical composition.
For calculating energy curves, we applied the hybrid density functional theory; the atomic charges of the test compounds were calculated based on the restricted electrostatic potential method.
The normalized dipole moments (Equation 2) of the monocations adjacent to fixed inputs (point charges as fixed drivers) have been calculated based on SA/CASSCF 3,4) for molecule 1 and 2, and SA/CASSCF 5,6) for molecule 3. The root mean square errors (RMSE) of the results obtained from the two methods have been calculated.
The mean free path of the charge carrier l e could be calculated based on the equation: {l}_e=frac{h{ k}_F{G}_0}{n{ e}^2}, (14 assuming a spherical Fermi surface with wave number: S=pi {k_F}^2.
Cost was calculated based on total charges billed by Tufts Medical Center at the time of the study, both professional and facilities fees, for each radiographic study ordered per fall.
