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The parameters for the Morse potential between copper and carbon atoms are presented in Table 2.
The calculated total density of states (TDOS) and the projected density of states (PDOS) of Fe atoms are presented in Fig. 6.
The key feature of a canonical identifier is that it should be invariant to the order in which atoms are presented.
Fig. 2 A view of the asymmetric unit cell of 1. Displacement ellipsoids for non–H atoms are presented at the 50% probability level.
Chemical shifts for carbon-13 atoms are presented in Table 1, following the numbering of salinomycin shown in Scheme 1. Figure 1 1 H-NMR spectra of salinomycinic acid, sodium salinomycin and complexes 1-2. Figure 2 13 C-NMR spectra of salinomycinic acid, sodium salinomycin and complexes 1-2.
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The design and construction of a new hybrid instrument, which is named a fluororeflectometer, for measuring the radiation from materials doped with rare earth atoms is presented.
As evidenced by XPS and HAADF-STEM characterizations (Supplementary Figs. 26 and 27), no changes in the composition occurred and both Ni and Fe atoms were presented as isolated atoms without any aggregations for Ni/GD and Fe/GD during the long-term cycling operation.
Due to the limited computational resources, the capped (5, 5) C-SWNT with 110 atoms is presented.
A new family of topological information indices based on the full neighbourhood of all atoms is presented.
Figure 3a,b,c,d,e shows the map of these atoms, and an intensity profile of Si, Al and O atoms is presented in Figure 3f.
Systematic measurements of organometallic dyes (phthalocyanines and porphyrins) as a function of the metal atom are presented for the metal 2p and N 1s absorption edges.
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