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Measurement and Application of 1Jxh and nJxh
October 22 @ 12:00 pm - 1:00 pm EDT
On Thursday, October 22nd at noon EDT Professor Thomas Williamson of the University of North Carolina Wilmington will lead a tutorial workshop about the extraction and use of heteronuclear coupling constants for structure determination. His panelists will include Roberto Gil of Carnegie Melon University, Alexie Buevich of Merck & Co, Kenilworth NJ, and Teodor Parella of the University of Barcelona.
Join us for a discussion of one of the most important methods for structure determination! Professor Williamson’s abstract is:
One bond 1JCH and long-range nJCH heteronuclear coupling constants are often overlooked, but they are powerful NMR parameters, especially when used in conjunction with modern density functional theory methods. This workshop will highlight applications of these data with a focus on their experimental extraction and theoretical calculation. Topics of discussion will include pulse sequence selection, acquisition and analysis of data, and tips for performing DFT calculations in the most effective way.