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Hydrogen Atomic Positions of O–H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with (1)H-NMR Chemical Shifts and X-ray Diffraction Methods

The exact knowledge of hydrogen atomic positions of O–H···O hydrogen bonds in solution and in the solid state has been a major challenge in structural and physical organic chemistry. The objective of this review article is to summarize recent developments in the refinement of labile hydrogen positio...

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Detalles Bibliográficos
Autores principales: Siskos, Michael G., Choudhary, M. Iqbal, Gerothanassis, Ioannis P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155303/
https://www.ncbi.nlm.nih.gov/pubmed/28272366
http://dx.doi.org/10.3390/molecules22030415