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The atomic charges for Gd@C82(OH)22 was obtained by the DFT level quantum mechanics calculation with the frozen core approximation on the heavy atoms as described in our recent study with MMP-919.
Decomposition of moist wood is modeled using the shrinking unreacted-core approximation for a finite rate of reaction and the assumption of a thermally controlled evaporation of moisture across an infinitely thin front at constant temperature.
In all calculations, the projector augmented wave method (PAW) [37] with the frozen-core approximation was used for the ion electron interactions.
24 The frozen-core approximation was applied throughout.
Despite neither assembly of the LSU and LSU-Lb genomes resulting in single chromosomes (table 2), manual curation allowed for an approximation of a core R. felis genome (1,261 genes) and dynamic accessory genome (fig. 1 D).
"I have a core.
Running a core facility.
You need a core.
Make a core.
Create a core.
Create a core (optional).
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