(11)B NMR Chemical Shift Predictions via Density Functional Theory and Gauge-Including Atomic Orbital Approach: Applications to Structural Elucidations of Boron-Containing Molecules

[Image: see text] (11)B nuclear magnetic resonance (NMR) spectroscopy is a useful tool for studies of boron-containing compounds in terms of structural analysis and reaction kinetics monitoring. A computational protocol, which is aimed at an accurate prediction of (11)B NMR chemical shifts via linea...

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Detalles Bibliográficos
Autores principales: Gao, Peng, Wang, Xingyong, Huang, Zhenguo, Yu, Haibo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6682094/
https://www.ncbi.nlm.nih.gov/pubmed/31460356
http://dx.doi.org/10.1021/acsomega.9b01566

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6682094/
https://www.ncbi.nlm.nih.gov/pubmed/31460356
http://dx.doi.org/10.1021/acsomega.9b01566

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