Lukas Maximilian Sigmund

14PUBLICATIONS
19CO-AUTHORS
Process control and simulationComputational chemistryChemical thermodynamics and energeticsNon-metal chemistrySeparation science
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Publications (14)

|May 23, 2026
Toward Lab-Ready AI Synthesis Plans with Protection Strategies and Route Scoring.

|Sep 15, 2025
Predicting Reaction Feasibility and Selectivity of Aromatic C─H Thianthrenation with a QM-ML Hybrid Approach.

Lukas M Sigmund, Tina Seifert, Riya Halder

|Mar 12, 2025
Computational tools for the prediction of site- and regioselectivity of organic reactions.

Lukas M Sigmund, Michele Assante, Magnus J Johansson

|Sep 02, 2024
A Benchmark Study of DFT-Computed p-Block Element Lewis Pair Formation Enthalpies Against Experimental Calorimetric Data.

Philipp Erdmann, Lukas M Sigmund, Manuel Schmitt

|Jul 19, 2024
Nitrogen monoxide and calix[4]pyrrolato aluminate: structural constraint enabled NO dimerization.

Senta J Kohl, Lukas M Sigmund, Manuel Schmitt

|Mar 13, 2024
How to Deal with Charge in the Ranking of Lewis Acidity: Critical Evaluation of an Extensive Set of Cationic Lewis Acids.

Philipp Erdmann, Manuel Schmitt, Lukas M Sigmund

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Frequent Collaborators

11 joint publications

Lutz Greb

3 joint publications

Mikhail Kabeshov

3 joint publications

Manuel Schmitt

2 joint publications

Philipp Erdmann