PerkinElmer Inc. / NMR Prediction Software / Advanced Chemistry Development Inc. / Gaussian Inc. / Modgraph Consultants Ltd / J. Comp / John Wiley & Sons / /
Continent
Europe / /
Country
United States / Canada / /
Facility
The University of Liverpool / University of Liverpool / /
IndustryTerm
quantum chemical / chemical shift changes / low energy conformers / chemical shielding calculations / proton chemical shifts / chemical shift range / chemical shift / experimental 1H chemical shifts / 1H chemical shift / rapid and accurate solution / proton chemical shift / analytical tools / minimum energy conformations / chemical shift calculations / quantum chemical calculations / 1H chemical shifts / aliphatic and aromatic systems / chemical shift predictor / invaluable tool / atom site / chemical shift prediction / substituent chemical shift / proton chemical shift calculations / chemical shift assignment / versatile tool / chemical shifts / conformation search / analytical software / experimental chemical shifts / software uses conformer generators / internet service / /
Organization
Mehdi Mobli Chemistry Department / University of Liverpool / /
Person
Mehdi Mobli / Raymond J. Abraham / / /
Position
research scientist / structural chemist / chemist / /
A RTICLE The prediction of 1H NMR chemical shifts in organic compounds Raymond J. Abraham and Mehdi Mobli