Cargando…
NMR (1)H-Shielding Constants of Hydrogen-Bond Donor Reflect Manifestation of the Pauli Principle
[Image: see text] NMR spectroscopy is one of the most useful methods for detection and characterization of hydrogen bond (H-bond) interactions in biological systems. For H bonds X–H···Y, where X and Y are O or N, it is generally believed that a decrease in (1)H-shielding constants relates to a short...
Autores principales: | Zarycz, M. Natalia C., Fonseca Guerra, Célia |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2018
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038099/ https://www.ncbi.nlm.nih.gov/pubmed/29927254 http://dx.doi.org/10.1021/acs.jpclett.8b01502 |
Ejemplares similares
-
How the Chalcogen Atom Size Dictates the Hydrogen‐Bond Donor Capability of Carboxamides, Thioamides, and Selenoamides
por: Nieuwland, Celine, et al.
Publicado: (2022) -
The Nature of Hydrogen Bonds: A Delineation of the Role of Different Energy Components on Hydrogen Bond Strengths and Lengths
por: van der Lubbe, Stephanie C. C., et al.
Publicado: (2019) -
Relevance of Orbital Interactions and Pauli Repulsion
in the Metal–Metal Bond of Coinage Metals
por: Brands, Maria B., et al.
Publicado: (2018) -
High Level Electronic Structure Calculation of Molecular
Solid-State NMR Shielding Constants
por: Poidevin, Corentin, et al.
Publicado: (2022) -
On the Utmost Importance of the Basis Set Choice for the Calculations of the Relativistic Corrections to NMR Shielding Constants
por: Rusakova, Irina L., et al.
Publicado: (2023)