D. Mollenhauer

发表

Interaction of Pyridine Derivatives with a Gold (111) Surface as a Model for Adsorption to Large Nanoparticles

B. Paulus, N. Gaston, E. Voloshina, 2013 .

Adsorption of Mono- and Divalent 4-(Dimethylamino)pyridines on Gold Surfaces: Studies by Surface-Enhanced Raman Scattering and Density Functional Theory.

H. Reissig, C. Graf, Maurice Taszarek, 2019, Langmuir : the ACS journal of surfaces and colloids.

Sulfur versus Dioxygen: Dinuclear (Trisulfido)copper Complexes: Sulfur versus Dioxygen: Dinuclear (Trisulfido)copper Complexes

S. Zahn, Jonathan Becker, S. Schindler, 2016 .

NMR Crystallography as a Novel Tool for the Understanding of the Mode of Action of Enzymes: SOD a Case Study

G. Buntkowsky, D. Tietze, S. Voigt, 2014 .

Synthesis of an Iron(IV) Aqua-Oxido Complex Using Ozone as an Oxidant.

S. Zahn, V. Schünemann, Jonathan Becker, 2018, Angewandte Chemie.

Unraveling the Electrochemistry of Verdazyl Species in Acidic Electrolytes for the Application in Redox Flow Batteries

Andreas J. Achazi, H. Wegner, D. Schröder, 2022, Chemistry of Materials.

Halogenated benzene cation radicals.

S. Strauss, B. Paulus, K. Seppelt, 2012, Chemistry.

The two structures of the hexafluorobenzene radical cation C6F6(*+).

B. Paulus, K. Seppelt, D. Mollenhauer, 2009, Angewandte Chemie.

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

Andreas J. Achazi, P. Schreiner, S. Dehnen, 2022, J. Comput. Chem..

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

Beate Paulus, Doreen Mollenhauer, Johannes Flob, 2011, J. Comput. Chem..

Tailoring Dihydroxyphthalazines to Enable Their Stable and Efficient Use in the Catholyte of Aqueous Redox Flow Batteries

J. Janek, H. Wegner, D. Schröder, 2020 .

A Mechanistic Study on the Reaction of Non‐Heme Diiron(III)‐Peroxido Complexes with Benzoyl Chloride

Andreas J. Achazi, Jonathan Becker, S. Schindler, 2021, European Journal of Inorganic Chemistry.

Revealing the position of the substrate in nickel superoxide dismutase: a model study.

L. González, G. Buntkowsky, O. Ohlenschläger, 2011, Angewandte Chemie.

Phosphine passivated gold clusters: how charge transfer affects electronic structure and stability.

N. Gaston, D. Mollenhauer, 2016, Physical chemistry chemical physics : PCCP.

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

Doreen Mollenhauer, Nicola Gaston, N. Gaston, 2014, J. Comput. Chem..

White‐Light Generation Upon In‐Situ Amorphization of Single Crystals of [{(Me3P)3AuSn}(PhSn)3S6] and [{(Et3P)3AgSn}(PhSn)3S6]

S. Dehnen, S. Chatterjee, S. Sanna, 2019, Advanced Optical Materials.

New insights into the mechanism of nickel superoxide degradation from studies of model peptides

G. Buntkowsky, D. Imhof, P. Heimer, 2017, Scientific Reports.

Tetraphenyl Tetrel Molecules and Molecular Crystals: From Structural Properties to Nonlinear Optics

C. Attaccalite, D. Mollenhauer, Simone Sanna, 2022, The Journal of Physical Chemistry C.

Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations.

G. Buntkowsky, T. Gutmann, B. Kumari, 2021, Inorganic chemistry.

Quest for Organic Active Materials for Redox Flow Batteries: 2,3-Diaza-anthraquinones and Their Electrochemical Properties

J. Janek, H. Wegner, D. Schröder, 2018 .

Four Plus Four State Degeneracies in the O−O Photolysis of Aromatic Endoperoxides

L. González, I. Corral, D. Mollenhauer, 2010 .

Bond-Level Imaging of the 3D Conformation of Adsorbed Organic Molecules Using Atomic Force Microscopy with Simultaneous Tunneling Feedback.

H. Wegner, Sebastian Ahles, A. Schirmeisen, 2019, Physical review letters.

Pathways to Triplet or Singlet Oxygen during the Dissociation of Alkali Metal Superoxides: Insights by Multireference Calculations of Molecular Model Systems

J. Janek, D. Schröder, D. Mollenhauer, 2020, Chemistry.

Adamantanes as White-Light Emitters: Controlling the Arrangement and Functionality by External Coulomb Forces

P. Schreiner, K. Volz, J. Belz, 2022, The Journal of Physical Chemistry C.

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

Jan-Niclas Luy, D. Mollenhauer, Daniel Grigjanis, 2022, J. Comput. Chem..

Adsorption behavior of 4-methoxypyridine on gold nanoparticles.

J. Maultzsch, C. Thomsen, B. Paulus, 2011, Langmuir : the ACS journal of surfaces and colloids.

Graphite as Cointercalation Electrode for Sodium‐Ion Batteries: Electrode Dynamics and the Missing Solid Electrolyte Interphase (SEI)

Doreen Mollenhauer, Petr Novák, Philipp Adelhelm, 2018 .

Imaging Successive Intermediate States of the On-Surface Ullmann Reaction on Cu(111): Role of the Metal Coordination.

H. Wegner, Sebastian Ahles, A. Schirmeisen, 2017, ACS nano.

Charge Spreading in Deep Eutectic Solvents.

Doreen Mollenhauer, Barbara Kirchner, Stefan Zahn, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

Singlet Oxygen in Electrochemical Cells: A Critical Review of Literature and Theory.

J. Janek, Adrian Schürmann, D. Schröder, 2021, Chemical reviews.

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

Doreen Mollenhauer, Philipp Adelhelm, Olena Lenchuk, 2019, J. Comput. Chem..

Influence of the Fe:Ni Ratio and Reaction Temperature on the Efficiency of (FexNi1–x)9S8 Electrocatalysts Applied in the Hydrogen Evolution Reaction

W. Schuhmann, H. Antoni, M. Muhler, 2018 .

Peering into the Mechanism of Low-Temperature Synthesis of Bronze-type TiO2 in Ionic Liquids

T. Leichtweiss, B. Smarsly, H. Amenitsch, 2017 .

Amorphous Molecular Materials for Directed Supercontinuum Generation

P. Schreiner, S. Dehnen, K. Volz, 2021, ChemPhotoChem.

How Adsorption Affects the Energy Release in an Azothiophene-Based Molecular Solar-Thermal System.

H. Wegner, J. Libuda, O. Brummel, 2023, The journal of physical chemistry letters.

Critical Role of the Crystallite Size in Nanostructured Li4Ti5O12 Anodes for Lithium-Ion Batteries.

T. Leichtweiss, B. Smarsly, Junpei Yue, 2018, ACS applied materials & interfaces.

New insights into the origin of unstable sodium graphite intercalation compounds.

P. Adelhelm, D. Mollenhauer, Olena Lenchuk, 2019, Physical chemistry chemical physics : PCCP.

Surface-controlled reversal of the selectivity of halogen bonds

H. Wegner, P. Pou, R. Pérez, 2020, Nature Communications.

Substituent Pattern Effects on the Redox Potentials of Quinone‐Based Active Materials for Aqueous Redox Flow Batteries

J. Janek, H. Wegner, J. Janek, 2020, ChemSusChem.

Influence of the POuN4-u structural units on the formation energies and transport properties of lithium phosphorus oxynitride: a DFT study.

J. Janek, D. Mollenhauer, Pascal Henkel, 2021, Physical chemistry chemical physics : PCCP.

Uncertainty of exchange‐correlation functionals in density functional theory calculations for lithium‐based solid electrolytes on the case study of lithium phosphorus oxynitride

D. Mollenhauer, Pascal Henkel, 2021, J. Comput. Chem..

Temperature-dependent Li vacancy diffusion in Li4Ti5O12 by means of first principles molecular dynamic simulations.

T. Jacob, J. Janek, S. Zahn, 2022, Physical chemistry chemical physics : PCCP.

A Simple Ansatz to Predict the Structure of Li4Ti5O12

J. Janek, S. Zahn, D. Mollenhauer, 2017 .

Performance of Dispersion-Corrected DFT for the Weak Interaction between Aromatic Molecules and Extended Carbon-Based Systems

B. Paulus, E. Voloshina, D. Mollenhauer, 2015 .

Structural analysis and electrical characterization of cation-substituted lithium ion conductors Li1−Ti1−MOPO4 (M = Nb, Ta, Sb)

J. Janek, Patrick Hofmann, D. Mollenhauer, 2018, Solid State Ionics.

Adsorption Structure of Mono- and Diradicals on a Cu(111) Surface: Chemoselective Dehalogenation of 4-Bromo-3″-iodo- p-terphenyl.

H. Wegner, L. Chi, Sebastian Ahles, 2018, ACS nano.