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The nature of multiple boron-nitrogen bonds studied using electron localization function (ELF), electron density (AIM), and natural bond orbital (NBO) methods

Local nature of the boron-nitrogen (BN) bonding with different formal multiplicities (B≡N, B=N, B-N) have been investigated for 25 experimentally established organoboron molecules in both real and the Hilbert space, using topological analysis of electron localization function (ELF), electron density...

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Detalhes bibliográficos
Publicado no:J Mol Model
Main Authors: Mierzwa, Grzegorz, Gordon, Agnieszka J., Berski, Slawomir
Formato: Artigo
Idioma:Inglês
Publicado em: Springer Berlin Heidelberg 2020
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7220893/
https://ncbi.nlm.nih.gov/pubmed/32405959
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-020-04374-9
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