H. Bernhard Schlegel

Chemistry Wayne State University, Detroit, MI, United States 
Theoretical chemistry
"H. Bernhard Schlegel"


Mean distance: 7.45


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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


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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
Shivnath Mazumder post-doc 2013-2016 Wayne State
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Stewart G, Debrah D, Hoerner P, et al. (2023) Carrier-Envelope Phase Controlling of Ion Momentum Distributions in Strong Field Double Ionization of Methyl Iodide. The Journal of Physical Chemistry. A
Schlegel HB, Hoerner P, Li W. (2022) Ionization of HCCI Neutral and Cations by Strong Laser Fields Simulated With Time Dependent Configuration Interaction. Frontiers in Chemistry. 10: 866137
Basnayake G, Hoerner P, Mignolet B, et al. (2021) Ellipticity controlled dissociative double ionization of ethane by strong fields. Physical Chemistry Chemical Physics : Pccp
Hoerner P, Li W, Schlegel HB. (2021) Sequential double ionization of molecules by strong laser fields simulated with time-dependent configuration interaction. The Journal of Chemical Physics. 155: 114103
Lee MK, Hoerner P, Li W, et al. (2020) Effect of spin-orbit coupling on strong field ionization simulated with time-dependent configuration interaction. The Journal of Chemical Physics. 153: 244109
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
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
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