Liverpool / New York / Salvador / El Cerrito / Pittsburgh / London / Milwaukee / /
Company
Wiley & Sons Ltd. / Rahara Enterprises / John Wiley & Sons Ltd. / Gaussian Inc / GE / 3M / Honda / Toyota / Wiley InterScience / GlaxoWellcome plc. / HP / Eqn / Aldrich Chemical Company / Frish AE / Modgraph Consultants Ltd. / Baboul AG / /
Country
United Kingdom / / /
Facility
The University of Liverpool / State University of Maringa / Behnke J. Aldrich Library / /
IndustryTerm
proton chemical shifts / rapid and useful tool / chemical shift range / natural products / proton chemical shift / Gas-phase ab initio calculations / potential energy surfaces / chemical shift calculations / amino / observed chemical shifts / final chemical shifts / calculated proton chemical shifts / amino substituent chemical shifts / software package / 1H chemical shifts / energy / chemical shifts prediction / chemical shifts / amino proton chemical shifts / amino chemical shifts / experimental and calculated proton chemical shifts / potential energy surface / chemical / experimental chemical shifts / heavy-atom chemical shifts / carbonyl / nonsymmetric / /
Organization
State University of Maringa / University of Liverpool / Brazil Chemistry Department / /
Person
Fellowship / Mehdi Mobli / Addison Wesley / J. Abraham Magn / /
Position
Hb / Schlegel HB / CHARGE model for the amino group / /
MAGNETIC RESONANCE IN CHEMISTRY Magn. Reson. Chem. 2007; 45: 749–757 Published online 19 July 2007 in Wiley InterScience (www.interscience.wiley.com) DOI: [removed]mrc[removed]The prediction of 1H chemical shifts in amine