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Within small molecules, the hydrogen-bonding behaviors affected by delocalization have been studied thoroughly, but rare publication in macromolecules.
The role of the stabilization of the electrogenerated radical anion by delocalization of the added electron within the structure is discussed on the basis of theoretical results employing density functional theory and the Truhlar model for solvation; also, estimates of the intramolecular hydrogen bond energy are presented.
High stability is achieved by delocalization of the polar ionic charge through uncoupler (chemical -specific mechemical -specific
First, they serve well for the stabilization of cations by delocalization of the positive charge.
The resulting carbanion is stabilized by delocalization into the PLP cofactor as well as by delocalization into the OAS carboxylate which forms multiple hydrogen-bonding interactions with the enzyme (backbone amides of Asn81 and Thr82, OH of Thr82).
This model also predicts that the Cα carbanion, generated after thiocarboxylate addition, is stabilized by delocalization into the cofactor as well as by delocalization into the Cβ carboxylate, which forms hydrogen bonds with the amide NH and the side chain OH of Thr82 and with the backbone nitrogen atom of Asn81.
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This can be explained by emerging delocalization effects of quantum mechanics which governs physics at the nanometer scale.
This behavior was explained by the delocalization of the positive charge over some silver atoms in the core.
In circumstances where such coplanarity cannot be achieved without distortion of the structure, as would be the case with 2-quinuclidone (Fig. 1b), stabilization of the amide bond by electron delocalization is inhibited.
Thus, like all other hydrates of small guest molecules, the guest framework interactions in CO clathrate hydrates may be dominated by the delocalization of encapsulated molecules inside their cages.
Effective conductivity of the polymer is defined by Q3D delocalization of charge carriers within such domains and their Mott variable range hopping between the domains dominating its micro- and macroscopic conductivity.
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