Publications: 2019
420. Shi, X.; Schlegel, H. B.; Controlling the
strong field fragmentation of ClCHO+ using
two laser pulses - a molecular dynamics simulation. J. Comput. Chem. 2019, 40, 200-205 (https://doi.org/10.1002/jcc.25576).
421. Tu, Y.-J.; Schlegel, H. B.; Ab Initio Molecular
Dynamics Study of the Reactions of Allene Cation Induced by Intense 7 Micron
Laser Field, Mol. Phys. 2019, 117, 1088-1096 (https://doi.org/10.1080/00268976.2018.1506175).
422. Hebert, S. P.; Schlegel, H. B.; Computational
Study of the pH-Dependent Competition Between Carbonate and Thymine Addition to
the Guanine Radical. Chem. Res. Tox. 2019, 32, 195-210 (https://doi.org/10.1021/acs.chemrestox.8b00302).
423. Sletten, E. T.; Tu, Y.-J.; Schlegel, H. B.;
Nguyen, H.; Are Bronsted Acids the True Promoter of Metal-Triflate-Catalyzed
Glycosylations? A Mechanistic Probe into 1,2-cis-Aminoglycoside Formation by
Nickel Triflate. ACS Catalysis, 2019, 9, 2110-2123 (https://doi.org/10.1021/acscatal.8b04444).
424. Li, W. Schlegel, H. B.; Virtual Issue on
Strong Field Chemistry (editorial). J.
Phys. Chem. Lett. 2019, 10, 2393 (https://doi.org/10.1021/acs.jpclett.9b01031).
425. Thapa, B.; Hebert, S. P.; Munk, B. H.;
Burrows, C. J.; Schlegel, H. B.; Computational Study of the Formation of C8, C5
and C4 Guanine:Lysine Adducts via Oxidation of Guanine by Sulfate Radical
Anion. J. Phys. Chem. A 2019, 123, 5150-5163 (https://doi.org/10.1021/acs.jpca.9b03598).
426. Hoerner, P.; Lee, M.-K.; Schlegel, H. B.;
Angular Dependence of Strong Field Ionization of N2 by Time-Dependent
Configuration Interaction using Density Functional Theory and the Tamm-Dancoff
Approximation. J. Chem. Phys. 2019, 151, 054102 (https://doi.org/10.1063/1.5108846).
427. Yu, F.; Li, J. L.; DeMent, P. M.; Tu, Y. -J.;
Schlegel, H. B.; Nguyen, H.; Phenanthroline-Catalyzed Stereoretentive
Glycosylations. Angew. Chem., Int. Ed. 2019, 58, 6957-6961 (https://doi.org/10.1002/anie.201901346).
428. Hebert, S. P.; Schlegel, H. B.; Computational
Study of the Oxidation of Guanine to Form
5-Carboxyamido-5-formamido-2-iminohydantoin (2Ih) Chem. Res. Tox. 2019, 32, 2295-2304 (https://doi.org/10.1021/acs.chemrestox.9b00304).