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Using differential scanning calorimetry, the heat of formation and the Gibbs free energy for the formation of Al9Ni2 were both calculated to be −28 kJ/mole·atom.
The barriers for the two outer-sphere attacks via TS1a and TS1b (see Figure 2 for optimized structures) were both calculated to be 23.8 kcal mol−1 relative to INT0.
In summary, the hexagonal structure is the only candidate ZrO structure, which is both calculated to be stable and able to explain data from both diffraction and EELS experiments.
By utilising the associated acetate to activate the boronic acid, the six- and four-atom transmetallation TSs (Table 2, TS-f and TS-g, respectively) were both calculated to be 6 12 kJ mol−1 higher in energy than the transmetallation via Pd OH (Table 2, TS-h).
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The frequency separation between both CCs is calculated to be 19.8 MHz according to [21], Section 5.7.1A.
The highest energy barriers for both pathways are calculated to be ∼200 kJ/mol, which may be accessible at the actual coal combustion system.
Treatment dose for both arms is calculated to be equivalent in consideration of the linear-quadratic model.
The concentrations of the oligodeoxynucleotides were determined by UV absorption at 260 nm, and the extinction coefficients of both sequences were calculated to be 1.12 × 10 L mol−1 cmol−12).
Cerebellar k 3 values for both subjects are naturally calculated to be 0 in the 3P++ analysis.
The lattice mismatches of both epitaxial interfaces are calculated to be about 1.8% and 10.9% (28), respectively.
Using the measured rate constants, the affinity constants (KD) for both RNA pairs were calculated to be 2.5 nM and 0.56 nM for the A6U and ND7-550 pairespectivelyvely.
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CEO of Professional Science Editing for Scientists @ prosciediting.com