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X-WR-CALDESC:Events for Global NMR Discussion Meetings
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DTSTART:20250101T000000
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DTSTART;TZID=UTC:20260519T150000
DTEND;TZID=UTC:20260519T160000
DTSTAMP:20260522T091631
CREATED:20260306T182719Z
LAST-MODIFIED:20260518T150129Z
UID:1786-1779202800-1779206400@www.globalnmr.org
SUMMARY:Jacob Holmes
DESCRIPTION:NMR Structure Determination in Molecular Solids  \nRich chemical understanding is critically important to understanding function in all chemical systems. Here\, we show how the determination of complete three-dimensional structures can be improved and accelerated for materials at natural isotopic abundance using new experimental methods with >100 kHz MAS\, machine-learned chemical shift predictions\, and rapid assignment methods\, to validate structures within hours. We highlight these advances with structure validation using only 1H-detected methods\, the improvement of ShiftML to DFT accuracy\, and the use of probabilistic methods for chemical shift assignment. The methods are combined to determine complete atomic-level structures of disordered molecular solids. \n8:00 AM California or 11:00 AM Boston or 5:00 PM Paris or 8:30 PM Delhi
URL:https://www.globalnmr.org/upcoming-discussions/jacob-holmes/
ATTACH;FMTTYPE=image/png:https://www.globalnmr.org/wp-content/uploads/2026/03/Jacob_Holmes.png
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