Doreen Mollenhauer
Orcid: 0000-0003-0084-4599
According to our database1,
Doreen Mollenhauer
authored at least 9 papers
between 2011 and 2024.
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Bibliography
2024
Development of a multi-step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes.
J. Comput. Chem., May, 2024
2023
Bonding character of intermediates in on-surface Ullmann reactions revealed with energy decomposition analysis.
J. Comput. Chem., January, 2023
Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactions.
J. Comput. Chem., 2023
2021
Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride.
J. Comput. Chem., 2021
2019
Comparative study of density functionals for the description of lithium-graphite intercalation compounds.
J. Comput. Chem., 2019
2014
J. Cheminformatics, 2014
A balanced procedure for the treatment of cluster-ligand interactions on gold phosphine systems in catalysis.
J. Comput. Chem., 2014
2011
Accurate quantum-chemical description of gold complexes with pyridine and its derivatives.
J. Comput. Chem., 2011