Stabilization of activated fragments by shell-wise construction of an embedding environment. - Florian Krausbeck; Jan-Grimo Sobez; Markus Reiher (J. Comput. Chem., 2017)

Molassembler: Molecular Graph Construction, Modification, and Conformer Generation for Inorganic and Organic Molecules. - Jan-Grimo Sobez; Markus Reiher (J. Chem. Inf. Model., 2020)

Formal Representation and Exploration of Inorganic Molecules with Graph-Theoretical Means. - Jan-Grimo Sobez (2021)