Heggen, B.; Thiel, W. Theoretical investigation on the mechanism of iron catalyzed cross coupling reactions via ferrate intermediates. Journal of Organometallic Chemistry 2016, 804, 42–47.

Heggen, B.; Patil, M.; Thiel, W. Cyclization of an α,β-Unsaturated Hydrazone Catalyzed by a BINOL-Phosphoric Acid: Pericyclic or Not? Journal of Computational Chemistry 2016, 37, 280–285.

Buchner, F.; Heggen, B.; Ritze, H.-H.; Thiel, W.; Lübcke, A. Excited-state dynamics of guanosine in aqueous solution revealed by time-resolved photoelectron spectroscopy: experiment and theory. Physical Chemistry Chemical Physics 2015, 17, 31978–31987.

Willwacher, J.; Heggen, B.; Wirtz, C.; Thiel, W.; Fürstner, A. Total Synthesis, Stereochemical Revision, and Biological Reassessment of Mandelalide A: Chemical Mimicry of Intrafamily Relationships. Chemistry – A European Journal 2015, 21, 10416–10430.

Seidel, G.; Gabor, B.; Goddard, R.; Heggen, B.; Thiel, W.; Fürstner, A. Gold Carbenoids: Lessons Learnt from a Transmetalation Approach. Angewandte Chemie International Edition 2014, 53, 879–882.

Heggen, B.; Lan, Z.; Thiel, W. Nonadiabatic Decay Dynamics of 9H-Guanine in Aqueous Solution. Physical Chemistry Chemical Physics 2012, 14, 8137–8146.

Heggen, B.; Zhao, W.; Leroy, F.; Dammers, A. J.; Müller-Plathe, F. Interfacial Properties of an Ionic Liquid by Molecular Dynamics. Journal of Physical Chemistry B 2010, 114, 6954–6961.

Weiss, V. C.; Heggen, B.; Müller-Plathe, F. Critical Parameters and Surface Tension of the Room Temperature Ionic Liquid [bmim][PF₆]: A Corresponding-States Analysis of Experimental and New Simulation Data. Journal of Physical Chemistry C 2010, 114, 3599–3608.

Walter, B. Theoretical Investigations on Chemical Structures and Reaction Mechanisms Using Semi-empirical and Density Functional Methods. Doktorarbeit, Heinrich-Heine-Universität Düsseldorf, Düsseldorf, 2016.