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The properties of solid solutions reported here may be integrated within the CALPHAD formalism to develop reliable thermodynamic databases in order to facilitate: (i) calculations of stable and metastable phase diagrams of binary and multicomponent systems, (ii) alloy design, and (iii) processing of Al TM-based Al TM-based
The results are in line with SIMMER-III calculations obtained in the past for UBAs in other ADS designs.
Thus, these correlated calculations were entirely within the INDO model and will be called INDO-MRSDCI calculations, henceforth.
In Fig. 3, we present the combined optical absorption spectrum of S-borozene, obtained from our INDO-MRSDCI calculations.
The INDO-MRSDCI calculations presented here involved construction and diagonalization of very large CI matrices running into millions of configurations, because simultaneously several states were targeted.
Just as for CIM-NPCI calculations, the 16,000,000 trait-locus associations were interrogated to produce 16,000 NPCIs and 16,000 non-selective NPCIs.
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AGRA calculates BCS for a single gene list in three steps: (i) calculation of protein BCS; (ii) calculation of gene symbol BCS; and (iii) calculation of gene list BCS.
The AM1/ZINDO CI calculation also indicated that the strongest UV absorption peak of PBO was blue shifted with increasing torsion angle.
(i) Calculation of saturation-dependent coefficients (pressure and voltage) for the next time step.
Detailed description of the ROT/ROTI calculation using ground-based GPS data and results for the March 2015 storm is presented in Cherniak et al. (2015).
Step I: Calculation of the CH 4 : CO 2 ratio.
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