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Moreover, affinity of the new compounds was also rationalized in terms of their interactions with the enzyme.
The influence of nitrogen incorporation in the carbon matrix on Pt NPs/support interaction was also rationalized on the basis of density functional theory simulations.
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Changes in n and absorbance, k, are, as expected, wavelength-dependent, but in general n greatly increases (to 1.65 1.80); this is also rationalized using the Lorentz oscillator model, since the wavelengths employed are to low energy of a strong absorption in neutral polypyrrole at ca 390 nm.
Ease of oxidation was also computationally rationalized using DFT approach showing increased ease of oxidation with electron donating functionalities.
Finite element method employing cohesive surfaces was also utilized to rationalize the experimentally observed trends.
This clustering of the substrates based on P450 activities is also readily rationalized in terms of their chemical structures.
35c Compared to the aforementioned N-alkyloxaziridines, this barrier is lower and the difference in energy is also generally rationalized by assuming that conjugation of the planar nitrogen with the alkoxycarbonyl group lowers the energy barrier of the transition state.
On the other hand, there are also mechanisms rationalizing an effect from firm size to productivity growth: expanding firms may invest in new technologies, learn about more efficient methods of production, use more specialized inputs, and/or better coordinate their resources.
The man who sexually abused her and beat and starved her to induce five miscarriages was also the churchgoer with a bottomless capacity to rationalize his actions.
Fidelity of nucleotide incorporation opposite the 3′ base to G[8,5-Me]T was also evaluated to determine if the semitargeted base substitutions can be rationalized.
Furthermore, the role and contribution of different functional groups on the antioxidant activity of the synthesized chalcone derivatives are also probed and rationalized in terms of their electronic and structural effect.
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