Computational analysis of a Generality-Oriented Optimization Campaign
2025-03-14 | 2 minstags: interactive, computational_chemistry, publication
Click and drag to rotate, Ctrl+click/Mouse3 to move, scroll/right-click to zoom.
This blog post contains interactive visualization for our computational analysis on the “Generality-oriented catalyst optimization: DFT modeling insights into the highly enantioselective meso-diol desymmetrization” (manuscript in preparation).
P1 to P3 (NMe2 to NHMe)
P2 to P4 (NMe2 to NHMe)
P3 to P4 (DPhe to LPhe)
P4 to P5 (Pro to Pip)
[P4 to P6 (NHMe to NHPFP, not in the manuscript)]
P5 to P7 (Phe to Bip)
