المؤلفون: Jessica Wahlers (2902578), Michael Maloney (2464879), Farbod Salahi (5096159), Anthony R. Rosales (4607122), Paul Helquist (301513), Per-Ola Norrby (1306665), Olaf Wiest (105849)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, aryl boronic acids, Stereoselectivity Predictions, Selected results, 27 ligands, R 2 value, conjugate addition, 22 enones, TSFF, 38 aryl boronic acids, Quantum-Guided Molecular Mechanics, pyrox ligands, Q 2MM method, MUE, error analysis, screening results, 9 ligands, 59 enones, 82 examples, quaternary chiral centers, transition-state force field

Relation: https://figshare.com/articles/journal_contribution/Stereoselectivity_Predictions_for_the_Pd-Catalyzed_1_4-Conjugate_Addition_Using_Quantum-Guided_Molecular_Mechanics/14320403

الاتاحة: https://doi.org/10.1021/acs.joc.1c00136.s001