Doreen Mollenhauer

According to our database, Doreen Mollenhauer authored at least 7 papers between 2011 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

Bonding character of intermediates in on-surface Ullmann reactions revealed with energy decomposition analysis.

Jan-Niclas Luy, Pascal Henkel, Daniel Grigjanis, Jannis Jung, Doreen Mollenhauer, Ralf Tonner-Zech

J. Comput. Chem., January, 2023

Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactions.

Sebastian Schwan, Andreas J. Achazi, Ferdinand Ziese, Peter R. Schreiner, Kerstin Volz, Stefanie Dehnen, Simone Sanna, Doreen Mollenhauer

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.

Pascal Henkel, Doreen Mollenhauer

J. Comput. Chem., 2021

2019

Comparative study of density functionals for the description of lithium-graphite intercalation compounds.

Olena Lenchuk, Philipp Adelhelm, Doreen Mollenhauer

J. Comput. Chem., 2019

2014

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

Doreen Mollenhauer, Nicola Gaston

J. Cheminformatics, 2014

A balanced procedure for the treatment of cluster-ligand interactions on gold phosphine systems in catalysis.

Doreen Mollenhauer, Nicola Gaston

J. Comput. Chem., 2014

2011

Accurate quantum-chemical description of gold complexes with pyridine and its derivatives.

Doreen Mollenhauer, Johannes Flob, Hans-Ulrich Reissig, Elena Voloshina, Beate Paulus

J. Comput. Chem., 2011