Localized Molecular Orbital Description of Nitrogen Lone Pairs

The Boys localization procedure is applied to several molecules possessing nitrogen lone pairs. The Boys structures show a tendency for the N lone pairs to participate in bonding to nearby electron sinks. For example, the Boys structure for planar formamide has two equivalent τ-bond orbitals between...

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Detalhes bibliográficos

Publicado no:	Proc Natl Acad Sci U S A
Principais autores:	Kleier, Daniel A., Hall, John H., Halgren, Thomas A., Lipscomb, William N.
Formato:	Artigo
Idioma:	Inglês
Publicado em:	National Academy of Sciences 1974
Assuntos:	Physical Sciences: Chemistry
Acesso em linha:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC388432/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16592157/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.71.6.2265
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