H Bernhard Schlegel
Affiliations: | Wayne State University, Detroit, MI, United States |
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Publications
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| Bach RD, Schlegel HB. (2020) The Bond Dissociation Energy of Peroxides Revisited. The Journal of Physical Chemistry. A |
| Hebert SP, Schlegel HB. (2020) Computational Investigation into the Oxidation of Guanine to Form Imidazolone (Iz) and Related Degradation Products. Chemical Research in Toxicology |
| Lee MK, Li W, Schlegel HB. (2020) Angular dependence of strong field sequential double ionization for neon and acetylene simulated with time-dependent configuration interaction using CIS and CISD-IP. The Journal of Chemical Physics. 152: 064106 |
| Hebert SP, Schlegel HB. (2019) Computational Study of the Oxidation of Guanine to Form 5-Carboxyamido-5-formamido-2-iminohydantoin (2Ih). Chemical Research in Toxicology |
| Nguyen HM, Yu F, Li J, et al. (2019) Phenanthroline-Catalyzed Stereoretentive Glycosylations. Angewandte Chemie (International Ed. in English) |
| Hoerner P, Lee MK, Schlegel HB. (2019) Angular dependence of strong field ionization of N2 by time-dependent configuration interaction using density functional theory and the Tamm-Dancoff approximation The Journal of Chemical Physics. 151: 054102 |
| Hebert SP, Schlegel HB. (2018) Computational Study of the pH-Dependent Competition Between Carbonate and Thymine Addition to the Guanine Radical. Chemical Research in Toxicology |
| Sirinimal HS, Hebert SP, Samala G, et al. (2018) Synthetic and Computational Study of Tin-Free Reductive Tandem Cyclizations of Neutral Aminyl Radicals. Organic Letters |
| Winney AH, Basnayake G, Lee SK, et al. (2018) Disentangling Strong Field Multi-Electron Dynamics with Angular Streaking. The Journal of Physical Chemistry Letters |
| Tu Y, Schlegel HB. (2018) Ab initio molecular dynamics study of the reactions of allene cation induced by intense 7 micron laser pulses Molecular Physics. 117: 1088-1096 |