Heike Fliegl

The <scp>D</scp>alton quantum chemistry program system

Kęstutis Aidas, Celestino Angeli, Keld L. Bak et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 1.5K citations · Full text

The gauge including magnetically induced current method

Heike Fliegl, Stefan Taubert, Olli Lehtonen et al. · Physical Chemistry Chemical Physics · 2011 · 483 citations

Engineering, Current Transport, Magnetic Resonance +20

Calculations of magnetically induced current densities: theory and applications

Dage Sundholm, Heike Fliegl, Raphael J. F. Berger · Wiley Interdisciplinary Reviews Computational Molecular Science · 2016 · 357 citations

Engineering, Magnetic Resonance, Organic Chemistry +16

Ab Initio Calculation of the Vibrational and Electronic Spectra of <i>trans</i>- and <i>cis</i>-Azobenzene

Heike Fliegl, Andreas Köhn, Christof Hättig et al. · Journal of the American Chemical Society · 2003 · 217 citations

Accurate Basis Sets, Engineering, Computational Chemistry +16

Magnetically Induced Current Densities in Aromatic, Antiaromatic, Homoaromatic, and Nonaromatic Hydrocarbons

Heike Fliegl, Dage Sundholm, Stefan Taubert et al. · The Journal of Physical Chemistry A · 2009 · 186 citations