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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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| Pubblicato in: | Molecules |
|---|---|
| Autori principali: | , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
MDPI
2021
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8196739/ https://ncbi.nlm.nih.gov/pubmed/34064185 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26113086 |
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