Doreen Mollenhauer

Orcid: 0000-0003-0084-4599

According to our database1, Doreen Mollenhauer authored at least 9 papers between 2011 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

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PhD thesis 
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Links

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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

Front Cover.
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
Towards understanding the chemical environment effect on gold-containing clusters.
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


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