H. Bernhard Schlegel

Affiliations: 
Chemistry Wayne State University, Detroit, MI, United States 
Area:
Theoretical chemistry
Website:
http://www.chem.wayne.edu/faculty/schlegel/
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"H. Bernhard Schlegel"
Bio:

http://chem.wayne.edu/schlegel

Mean distance: 7.45
 
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Parents

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Saul Wolfe grad student 1975 Queens University
 (Some theoretical aspects of internal molecular motion : energy surfaces and molecular vibrations)
Leland C. Allen post-doc 1976 Princeton
Kurt M. Mislow post-doc 1976 Princeton
John Anthony Pople post-doc 1977 Carnegie Mellon

Children

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Edgar W. Ignacio grad student
Paul Hoerner grad student 2015- Wayne State
Mathew D. Halls grad student 2001 Wayne State
Jason B. Cross grad student 2002 Wayne State
Xiaosong Li grad student 2003 Wayne State
Smriti Anand grad student 2005 Wayne State
Hrant P. Hratchian grad student 2001-2005 Wayne State
Barbara H. Munk grad student 2009 Wayne State
Jia Zhou grad student 2011 Wayne State
Jason A. Sonk grad student 2012 Wayne State
Brian T. Psciuk grad student 2006-2013 Wayne State
Yi-Jung Tu grad student 2017
Bishnu Thapa grad student 2012-2017 Wayne State
Jason L. Sonnenberg post-doc 2005-2009 Wayne State
Richard L. Lord post-doc 2010-2012 Wayne State
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Publications

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Njus D, Kelley PM, Tu YJ, et al. (2020) Ascorbic Acid: The Chemistry Underlying Its Antioxidant Properties. Free Radical Biology & Medicine
Hoerner P, Li W, Schlegel HB. (2020) Angular Dependence of Strong Field Ionization of 2-phenylethyl-N,N-dimethylamine (PENNA) Using Time-Dependent Configuration Interaction with an Absorbing Potential. The Journal of Physical Chemistry. A
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
Sletten ET, Tu YJ, Schlegel HB, et al. (2019) Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2--Aminoglycoside Formation by Nickel Triflate. Acs Catalysis. 9: 2110-2123
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
Thapa B, Hebert SP, Munk BH, et al. (2019) Computational Study of the Formation of C8, C5 and C4 Guanine:Lysine Adducts via Oxidation of Guanine by Sulfate Radical Anion. The Journal of Physical Chemistry. A
Li W, Schlegel HB. (2019) Virtual Issue on Strong Field Chemistry. The Journal of Physical Chemistry Letters. 10: 2393
Li W, Schlegel HB. (2019) Virtual Issue on Strong Field Chemistry. The Journal of Physical Chemistry. A. 123: 4095
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