Identifying Stereoisomers by ab-initio Calculation of Secondary Isotope Shifts on NMR Chemical Shieldings

We present ab-initio calculations of secondary isotope effects on NMR chemical shieldings. The change of the NMR chemical shift of a certain nucleus that is observed if another nucleus is replaced by a different isotope can be calculated by computing vibrational corrections on the NMR parameters usi...

Descripción completa

Detalles Bibliográficos
Autores principales: Böhm, Karl-Heinz, Banert, Klaus, Auer, Alexander A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271661/
https://www.ncbi.nlm.nih.gov/pubmed/24762967
http://dx.doi.org/10.3390/molecules19045301

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271661/
https://www.ncbi.nlm.nih.gov/pubmed/24762967
http://dx.doi.org/10.3390/molecules19045301

Ejemplares similares