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We show that such a definition has the advantage of initial and final states at equilibrium, connected by well-defined and measurable energetic quantities, which can also be calculated from first principles.
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The zero kelvin enthalpy of formation for each end-member phase is calculated from first principles.
The electrical admittance due to electron-hole recombination in semiconductor electrodes is calculated from first principles.
Following the method of long waves, second-order elastic constants are calculated from first and second neighbor axisymmetric force constants obtained from the virtual potential.
For Almost all parameters in this model were calculated from first principles and an interfacial shear term was added for the gas film.
Maximum electric field "seen" by the Schottky contact is calculated from first principles by a 2-dimensional method as a function of JBS diode design parameters and confirmed by numerical simulations.
The anisotropic elastic and thermal properties of layered compounds in the series Ln2SrAl2O7 (Ln = La, Nd, Sm, Eu, Gd or Dy) are calculated from first principles using density functional theory combined with the Debye quasi-harmonic approximation.
Person time at risk of malaria and anaemia was calculated from first dose of IPT until the child exited the study or reached two years of age.
SFE was calculated from first through the fifth generation.
Time to recurrence was calculated from first PD.
Resemblances between relatives are calculated from first principles with the help of a mating table.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com