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The Journal of Physical Chemistry. A|December 16, 2005
Dissociation of benzene dication [C6H6]2+: exploring the potential energy surfaceSmriti Anand, H Bernhard SchlegelThe Journal of Physical Chemistry. A|November 2, 2016
Theoretical Calculation of pKa's of Selenols in Aqueous Solution Using an Implicit Solvation Model and Explicit Water MoleculesBishnu Thapa, H Bernhard SchlegelThe Journal of Physical Chemistry. A|January 19, 2017
Angular Dependence of Ionization by Circularly Polarized Light Calculated with Time-Dependent Configuration Interaction with an Absorbing PotentialPaul Hoerner, H Bernhard SchlegelThe Journal of Physical Chemistry. A|February 20, 2014
Molecular dynamics of methanol monocation (CH₃OH⁺) in strong laser fieldsBishnu Thapa, H Bernhard SchlegelThe Journal of Physical Chemistry. A|October 1, 2014
Molecular dynamics of methylamine, methanol, and methyl fluoride cations in intense 7 micron laser fieldsBishnu Thapa, H Bernhard SchlegelThe Journal of Physical Chemistry. A|September 10, 2015
Angle-Dependent Ionization of Hydrides AHn Calculated by Time-Dependent Configuration Interaction with an Absorbing PotentialPascal Krause, H Bernhard SchlegelThe Journal of Physical Chemistry. A|July 18, 2017
Angular Dependence of Strong Field Ionization of CH3X (X = F, Cl, Br, or I) Using Time-Dependent Configuration Interaction with an Absorbing PotentialPaul Hoerner, H Bernhard SchlegelThe Journal of Chemical Physics|November 10, 2014
Strong-field ionization rates of linear polyenes simulated with time-dependent configuration interaction with an absorbing potentialPascal Krause, H Bernhard SchlegelThe Journal of Physical Chemistry. A|June 1, 2017
Improved pKa Prediction of Substituted Alcohols, Phenols, and Hydroperoxides in Aqueous Medium Using Density Functional Theory and a Cluster-Continuum Solvation ModelBishnu Thapa, H Bernhard SchlegelThe Journal of Physical Chemistry. A|September 11, 2009
Ab initio classical trajectory study of the dissociation of neutral and positively charged methanimine (CH2NHn+ n = 0-2)Jia Zhou, H Bernhard SchlegelPageof 38