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Exact(40)
No charge delocalization occurs between A- and B-rings.
Intramolecular interactions, stabilization energies, and charge delocalization are calculated by NBO analysis.
Natural bond orbital (NBO) analysis indicated that the stability of the cyanoform arising from charge delocalization.
Steric effects and charge delocalization of their ions hinder the formation of a stable crystal lattice (Kyte and Dolittle 1982).
This may be attributed to the charge delocalization from the coordinated 2-NH2-Pym thethe chelated N,N/ligand.
The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis.
Similar(20)
It is also conceivable that major (extra) distortions in the pocket geometry and charge delocalization-previously shown to play a role on ligand accessibility [10] may occur thus interfering with the analysis.
It was observed that radical anion stability increased with increase in charge-delocalization over the atomic framework of the molecule.
The increase in the conductivity of thin films based on rGO MWCNT hybrid nanomaterial is a result of the strong π-π interfacial coupling between the MWCNT and the rGO that promotes more mobile charge carrier delocalization between the electronic densities of both [28].
By taking bilayer MoS2 as an example, it was found that the physical mechanism of the band-gap variation relates to the charge accumulation and delocalization in the interlayer region.
Extent and symmetry of the chlorine substitution, which alters electron delocalization, charge polarization, and solubility, affect biologic response.
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