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The photophysical properties of the complexes were fully rationalized by density functional theory calculations.
Moreover, the geometric structures, frontier molecular orbitals (MOs) and the potential energy curves for 1 4 in the ground and the first singlet excited state were fully rationalized by density functional theory (DFT) and time-dependent DFT calculations.
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Kloppers has fully rationalized the benefits of plunging BHP into shale gas.
Pigment lakes have been fully characterized and rationalized by multi-analytical techniques [18, 20, 22].
This reactivity difference was rationalized by noting that bicyclizations do not require a fully formed carbenium ion that subsequently engages another alkene.
This simple analysis clearly shows that the long surface Fe OH2 distance can be rationalized by the fact that the surface Fe3+ atoms are already fully charge balanced (i.e. valence saturated) with only 5 neighbors.
Though bitterly debated, it was rationalized by some as being "for the kids".
But back then tax cuts were rationalized by ideas, however silly.
Although resistance is logically futile, the resentment persists and is rationalized by defective explanations, since the alternative is emotionally unacceptable.
They were undertaken, or at least rationalized, by Mr. bin Laden in the name of Arabs and Muslims worldwide.
This can be rationalized by molecular modeling.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com