Thermodynamics of chemical reactions with COSMO-RS: The extreme case of charge separation or recombination. - Peter Deglmann; Stephan Schenk (J. Comput. Chem., 2012)

Towards a converged strategy for including microsolvation in reaction mechanism calculations. - Rebecca Sure; Moad el Mahdali; Alex Plajer; Peter Deglmann (J. Comput. Aided Mol. Des., 2021)

Automated input structure generation for single-ended reaction path optimizations. - Julian Geiger; Volker Settels; Peter Deglmann; Ansgar Schäfer; Maike Bergeler (J. Comput. Chem., 2022)