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Various characterization techniques have been used to investigate the chemical, tribological, and electronic features of the deposited films.
Their structures were definitively revealed by X-ray crystallographic analysis, showing the unique electronic features of the ligands.
Density Functional Theory (DFT) at B3LYP/6-31G* B3LYP/6-31G*plevel to explore the electronic features of the ligands involved in charge transfer reaction during receptor ligand interaction.
The systematic structure variation suggests that electronic features of the tricyclic moiety play a role in modulating the interaction of these amide derivatives with their receptor.
Theoretical charge density analysis of the thioureido based compound 4-methyl-3-thiosemicarbazide (MeTSC) is used in this study with the aim to provide additional insight into electronic features of the thioureido sulfur acceptor and the corresponding DH⋯S hydrogen bonding (DN, C).
Likewise, the electronic features of the cation complexed by HA also play an important role in the stability of phosphate complexation in metal humic binding sites, with transition metals showing the highest stability [43].
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The disparate structural and electronic features of these two boundaries suggest reasons for their very different oxygen diffusion coefficients that have been observed experimentally.
Differences in the electronic features of iron pairs in the oxidized and reduced forms cause a significant hyperfine shift of H and C of the cysteine ligands of the cluster.
The electronic features of functional groups are responsible for the types of reactions that are characteristic of each group (see above Functional groups).
In this work, 3D-QSAR combined with quantitative profile of protein ligand interactions was employed in the identification and characterization of critical steric and electronic features of aromatase-inhibitor complexes and the estimation of their quantitative contribution to inhibition potency.
Hence, both the higher mechanical power of MWNTs and fascinating electronic features of SWNTs have been observed in the carbon nanotubes [21].
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