BEGIN:VCALENDAR VERSION:2.0 PRODID:-//hacksw/handcal//NONSGML v1.0//EN CALSCALE:GREGORIAN BEGIN:VEVENT LOCATION:Online DESCRIPTION:Based upon the experimentally obtained kinetic data on iodonium salt catalyzed nucleophilic addition of isocyanide to imine leading to imidazopyridine species\, a reliable model for DFT calculations has been suggested. It was shown that preassociation of the catalysts with the reaction species might significantly affect the total energy profile of the reaction obtained by DFT. DTSTART:20231118T100000Z DTEND:20231118T110000Z SUMMARY:Seminar “(Pre)association as a crucial step for computational prediction and analysis of the catalytic activity of σ-hole donating organocatalysts” URL;VALUE=URI:/media/events/seminar-preassociation-as-a-crucial-step-for-computational-prediction-and-analysis-of-the-catalytic-activity-of--hole-donating-organocatalysts/ DTSTAMP:20251208T051757Z UID:69363555a2e05 END:VEVENT END:VCALENDAR