Publications: 2021

436. DeMent, P.; Wakpal, J.; Liu, C.; Schaugaard, R.; Schlegel, H. B.; Nguyen, H.; Phenanthroline-Catalyzed Stereoselective Formation of alpha-1,2-Cis 2-Deoxy-2-Fluoro Glycosides. ACS Catalysis 2021, 11, 2108-2120 (https://dx.doi.org/10.1021/acscatal.0c04381)

437. Bach, R. D.; Schlegel, H. B.; The Bond Dissociation Energy of the N-O Bond, J. Phys. Chem. A 2021, 125, 23, 5014-5021 (https://dx.doi.org/10.1021/acs.jpca.1c02741)

438. Schaugaard, R. N.; Nguyen, H. M.; Schlegel, H. B.; Alkyl Radical-Free Cu(I) Photocatalytic Cross-Coupling: A Theoretical Study of Anomerically Specific Photocatylzed Glycosylation of Pyranosyl Bromide. Inorg. Chem. 2021, 60, 12801-12812 (https://doi.org/10.1021/acs.inorgchem.1c01038)

439. Hoener, P.; Li, W.; Schlegel, H. B.; Sequential double ionization by strong laser field simulated with time dependent configuration interaction. J. Chem. Phys. 2021, 155, 114103 (https://doi.org/10.1063/5.0060365).

440. Schlegel, H. B.; Ab Initio Direct Dynamics. Acc. Chem. Res. 2021, 54, 3749-3759 (https://doi.org/10.1021/acs.accounts.1c00390).

441. Basnayake, G.; Hoener, P.; Mignolet, B.; Lee, M. K.; Lin, Y. F.; Winney, A. H.; Debrah, D. A.; Popaj, L.; Shi, X.; Lee, S. K.; Schlegel, H. B.; Remacle, F.; Li, W. Ellipticity Controlled Dissociative Double Ionization of Ethane by Strong Fields. Phys. Chem. Chem. Phys. 2021, 23, 23537-23543 (https://doi.org/10.1039/D1CP03585A).

442. Bach, R. D.; Schlegel, H. B.; The Mechanism of Orbital Interactions in the Sharpless Epoxidation with TI (IV) Peroxides. A DFT Study. J. Phys. Chem. A 2021, 125, 10541-10556 (https://doi.org/10.1021/acs.jpca.1c08447)