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Perturbing the O–H(…)O Hydrogen Bond in 1-oxo-3-hydroxy-2-propene

Ab initio MP2/aug’-cc-pVTZ calculations have been carried out to identify and characterize equilibrium structures and transition structures on the 1-oxo-3-hydroxy-2-propene: Lewis acid potential energy surfaces, with the acids LiH, LiF, BeH(2), and BeF(2). Two equilibrium structures, one with the ac...

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Detalles Bibliográficos
Autores principales:	Alkorta, Ibon, Elguero, José, Del Bene, Janet E.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8196739/ https://www.ncbi.nlm.nih.gov/pubmed/34064185 http://dx.doi.org/10.3390/molecules26113086

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