A computational tool to accurately and quickly predict 19F NMR chemical shifts of molecules with fluorine–carbon and fluorine–boron bonds

Alexandre S. Dumon; Henry S. Rzepa; Carla Alamillo-Ferrer; Jordi Bures; Richard Procter; Tom D. Sheppard; Andrew Whiting

doi:10.1039/D2CP02317B

A computational tool to accurately and quickly predict 19F NMR chemical shifts of molecules with fluorine–carbon and fluorine–boron bonds

Alexandre S. Dumon
, Henry S. Rzepa
, Carla Alamillo-Ferrer
, Jordi Bures
, Richard Procter
, Tom D. Sheppard
, Andrew Whiting

Research output: Contribution to journal › Article › peer-review

Original language	Undefined
Journal	Physical Chemistry Chemical Physics
DOIs	https://doi.org/10.1039/D2CP02317B
Publication status	Published - 9 Aug 2022

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10.1039/D2CP02317B

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title = "A computational tool to accurately and quickly predict 19F NMR chemical shifts of molecules with fluorine–carbon and fluorine–boron bonds",

author = "Dumon, \{Alexandre S.\} and Rzepa, \{Henry S.\} and Carla Alamillo-Ferrer and Jordi Bures and Richard Procter and Sheppard, \{Tom D.\} and Andrew Whiting",

year = "2022",

month = aug,

day = "9",

doi = "10.1039/D2CP02317B",

language = "Undefined",

journal = " Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

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TY - JOUR

T1 - A computational tool to accurately and quickly predict 19F NMR chemical shifts of molecules with fluorine–carbon and fluorine–boron bonds

AU - Dumon, Alexandre S.

AU - Rzepa, Henry S.

AU - Alamillo-Ferrer, Carla

AU - Bures, Jordi

AU - Procter, Richard

AU - Sheppard, Tom D.

AU - Whiting, Andrew

PY - 2022/8/9

Y1 - 2022/8/9

UR - https://doi.org/10.1039/D2CP02317B

U2 - 10.1039/D2CP02317B

DO - 10.1039/D2CP02317B

M3 - Article

SN - 1463-9076

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

ER -

A computational tool to accurately and quickly predict 19F NMR chemical shifts of molecules with fluorine–carbon and fluorine–boron bonds

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