Publikationen
Veröffentlichungen der AG Mollenhauer
Publikationen mit Peer-Review
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2025
- Zilin Ruan, Olaf A. Kleykamp, Kiyan Linus Haiko Pohl, Tim Naumann, L. Alix Kaczmarek, Anton S. Nizovtsev, Eugen Sharikow, Jörg Sundermeyer, Doreen Mollenhauer, and J. Michael Gottfried On-Surface Synthesis of a Nitrogen-Doped Curved Cycloarene: π-Extended Pentaazaquintulene and Its Gold ComplexExterner Link J. Am. Chem. Soc. (doi: 10.1021/jacs.5c11883)
- Daria I. Poliakova, Sergey S. Nechausov, Daria S. Stepaniuk, Doreen Mollenhauer, Ulrich S. Schubert, Boris A. Bulgakov High-Performance Phthalonitrile Resins Partially Derived from a Furan Bio-Based Chemical PlatformExterner Link ChemSusChem 2025, 0, e202501854, (doi: 10.1002/cssc.202501854)
- J. Tschakert, Q. Zhong, A. Sekels, P. Henkel, J. Jung, K. L. H. Pohl, H. A. Wegner, D. Mollenhauer, A. Schirmeisen, D. Ebeling Probing weak chemical interactions of metal surface atoms with CO-terminated AFM tips identifies molecular adsorption sitesExterner Link Nat. Commun. 2025, 16, 7874 (doi: 10.1038/s41467-025-63159-x)
- K. Wang, D. Mollenhauer First-Principles Studies on the Structure and Stability of the Solid Electrolyte Interphase with LiPON in Solid-State BatteriesExterner Link J. Phys. Chem. C 2025, 129 (29), 13160-13168 (doi: 10.1021/acs.jpcc.5c01201)
- X. Fataj, A. J. Achazi, C. Stolze, S. Muench, R. Burges, I. Anufriev, M. Mignon, D. Mollenhauer, I. Nischang, M. D. Hager, U. S. Schubert Pyridinium-Benzoxazole-Based Anode Material for Sustainable All-Organic Polymer-Based BatteriesExterner Link ACS Appl. Energy Mater. 2025, 8 (7), 4220-4230 (doi: 10.1021/acsaem.4c03127)
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2024
- D. S. Pietruschka, A. Zaichenko, M. Richter, S. Gräfe, D. Mollenhauer From lithium and sodium superoxides to singlet-oxygen – insights into the mechanism of dissociation using SHARC-MDExterner Link ChemPhysChem 2024, 25, e202400216 (doi: 10.1002/cphc.202400216)
- S. Schwan, B. Klee, N. Rinn, P. R. Schreiner, S. Dehnen, W.-C. Pilgrim, D. Mollenhauer Theoretical investigations and comparisons of the amorphous structures of adamantane-like cluster materials with molecular dynamics simulationsExterner Link J. Chem. Theory Comput. 2024 20 (17), 7586-7596 (doi: 10.1021/acs.jctc.4c00196)
- R. Maile, W. Zhixuan, A. J. Achazi, K. Wang, P. Henkel, D. Mollenhauer, J. Janek, K. Müller-Buschbaum Dualism of Remarkable Magnesium Ion Conduction with Low Activation Energy Over a Wide Temperature Range vs. Limited Stability of the Hybrid Composite Electrolyte Mg-MOF-74/MgX2/Propylene CarbonateExterner Link Adv. Energy Sustainability Res. 2024, 2300288 (doi: 10.1002/aesr.202300288)
- K. Wang, J. Janek, D. Mollenhauer Insight into the Li/LiPON Interface at the Molecular Level: Interfacial Decomposition and ReconfigurationExterner Link Chem. Mater. 2024, 36, 10, 5133 (doi: 10.1021/acs.chemmater.4c00377) Inside Cover ImageExterner Link
- P. Godermajer, A. J. Achazi , D. Mollenhauer, A. Seifert, M. Sommer Degradable bispiperidone derivative amine networks with monomer recoveryExterner Link Polym. Chem. 2024, 15, 1427 (doi: 10.1039/d4py00025k)
- P. Henkel, K. L. H. Pohl, D. Mollenhauer Influence of the Coinage Metal(111) Surface on the Orientation of the σ Hole and the Halogen Bonding Strength of Bromo/IodobenzeneExterner Link J. Phys. Chem. C 2024, 128, 14, 5848 (doi: 10.1021/acs.jpcc.3c07555)
- Q. Zhong, J. Jung, D. Kohrs, A. Kaczmarek, D. Ebeling, D. Mollenhauer, H. A. Wegner, A. Schirmeisen Deciphering the mechanism of on-surface dehydrogenative C–C coupling reactionsExterner Link J. Am. Chem. Soc. 2024, 146, 3, 1849 (doi: 10.1021/jacs.3c05233)
- A. J. Achazi, X. Fataj, P. Rohland, M. D. Hager, U. S. Schubert, D. Mollenhauer Development of a multi-step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytesExterner Link J. Comput. Chem. 2024, 45, 1112 (doi: 10.1002/jcc.27299) Cover ImageExterner Link
- A. Zaichenko, A. J. Achazi, S. Kunz, H. A. Wegner, J. Janek, D. Mollenhauer Static theoretical investigations of organic redox active materials for redox flow batteriesExterner Link Prog. Energy 2024, 6, 012001 (doi: 10.1088/2516-1083/ad0913)
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2023
- X. Fataj, A. J. Achazi, P. Rohland, E. Schröter, S. Muench, R. Burges, K. L. H. Pohl, D. Mollenhauer, M. D. Hager, U. S. Schubert Development of novel redox-active organic materials based on benzimidazole, benzoxazole, and benzothiazole – a combined theoretical and experimental screening approachExterner Link Chem. Eur. J. 2023, e202302 (doi: 10.1002/chem.202302979)
- J. Jung, D. Mollenhauer Theoretical Studies of the Mechanism of Ullmann Coupling of Naphthyl Halogen Derivatives to Binaphtyl on Coinage MetalsExterner Link J. Phys. Chem. C 2023, 127, 41, 20284 (doi: 10.1021/acs.jpcc.3c03379 Inside CoverExterner Link
- E. Franz, J. Jung, A. Kunz, H. A. Wegner, O. Brummel, D. Mollenhauer, J. Libuda How Adsorption Affects the Energy Release in an Azothiophene-2 Based Molecular Solar−Thermal SystemExterner Link J. Phys. Chem. Lett. 2023, 14, 6, 1470 (doi: 10.1021/acs.jpclett.2c03732)
- S. Schwan, A. J. Achazi, F. Ziese, P. R. Schreiner, K. Volz, S. Dehnen, S. Sanna, D. Mollenhauer Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactionsExterner Link J. Comp. Chem. 2023, 44, 843 (doi: 10.1002/jcc.27047)
- J.-N. Luy, P. Henkel, D. Grigjanis, J. Jung, D. Mollenhauer, R. Tonner Bonding character of intermediates in on-surface Ullmann reactions revealed with energy decomposition analysisExterner Link J. Comput. Chem. 2023, 44, 179 (doi: 10.1002/jcc.26855)
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2022
- S. Kunz, M. Janse van Rensburg, D. S. Pietruschka, A. J. Achazi, D. Emmel, F. Kerner, D. Mollenhauer, H. A. Wegner, D. Schröder Unraveling the Electrochemistry of Verdazyl Species in Acidic Electrolytes for the Application in Redox Flow BatteriesExterner Link Chem. Mater. 2022, 34, 23, 10424 (doi: 10.1021/acs.chemmater.2c02279)
- M. J. Müller, F. Ziese, J. Belz, F. Hüppe, S. Gowrisankar, B. Bernhardt, S. Schwan, D. Mollenhauer P. R. Schreiner, K. Volz, S. Sanna, S. Chatterjee Octave-spanning 1 emission across the visible spectrum from single crystalline 1,3,5,7-tetrakis-(p-methoxyphenyl)adamantaneExterner Link Opt. Mater. Express 2022, 12, 9, 3517 (doi: 10.1364/OME.461427)
- I. Rojas León, J. Christmann, S. Schwan, F. Ziese, S. Sanna, D. Mollenhauer, N. W. Rosemann, S. Dehnen Cluster-Glass for Low-Cost White-Light EmissionExterner Link Adv. Mater. 2022, 34, 220335 (doi: 10.1002/adma.202203351)
- J. Belz, J. Haust, M. Müller, K. Eberheim, S. Schwan, S. Gowrisankar, F. Hüppe, A. Beyer, P. R. Schreiner, D. Mollenhauer, S. Sanna, S. Chatterjee, K. Volz Adamantanes as white-light emitters: Controlling arrangement and functionality by external Coulomb forcesExterner Link J. Phys. Chem. C 2022, 126, 23, 9843 (doi: 10.1021/acs.jpcc.2c02686)
- K. Eberheim, C. Dues, C. Attaccalite, M. J. Müller, S. Schwan, D. Mollenhauer, S. Chatterjee, S. Sanna Tetraphenyl Tetrel Molecules and Molecular Crystals: From Structural Properties to Non-Linear OpticsExterner Link J. Phys. Chem. C 2022, 126, 7, 3713 (doi: 10.1021/acs.jpcc.1c10107)
- P. Henkel, S. Zahn, J. Lorenz, T. Jacob, J. Janek, D. Mollenhauer Temperature-dependent Li Vacancy Diffusion in Li4Ti5O12 by Means of First Principles Molecular Dynamic SimulationsExterner Link Phys. Chem. Chem. Phys. 2022, 24, 5301 (doi: 10.1039/D1CP05126A) Hot Paper
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2021
- P. Henkel, J. Janek, D. Mollenhauer Influence of the POuN4−u structural units on the formation energies and transport properties of lithium phosphorus oxynitride: a DFT studyExterner Link Phys. Chem. Chem. Phys. 2021,23, 22567 (doi: 10.1039/D1CP01294K)
- M. Lerch, A. J. Achazi, D. Mollenhauer, J. Becker, S. Schindler A Mechanistic Study on the Reaction of Non-Heme Diiron(III)-Peroxido Complexes with Benzoyl Chloride Eur. J. Inorg. Chem. 2021, 4122 (doi: 10.1002/ejic.202100711)
- S. Dehnen, P. R. Schreiner, S. Chatterjee, K. Volz, N. W. Rosemann, W.-C. Pilgrim, D. Mollenhauer, S. Sanna Amorphous Molecular Materials for Directed Supercontinuum GenerationExterner Link ChemPhotoChem 2021, 5, 1033. (doi: 10.1002/cptc.202100130) Cover Article
- A. Schürmann, B. Luerßen, D. Mollenhauer, J, Janek, D. Schröder Singlet Oxygen in Electrochemical Cells: A Critical Review of Literature and TheoryExterner Link Chem. Rev. 2021, 121, 20, 12445 (doi: 10.1021/acs.chemrev.1c00139)
- P. Henkel, D. Mollenhauer Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of LIPONExterner Link J. Comput. Chem. 2021, 42, 1283 (doi: 10.1002/jcc.26546)
- D. S. Pietruschka, B. Kumari, G. Buntkowsky, T. Gutmann, D. Mollenhauer Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT CalculationsExterner Link Inorganic Chemistry 2021, 60, 9, 6239 (doi: 10.1021/acs.inorgchem.0c03712)
- K. Hanau, S. Schwan, M. R. Schäfer, M. J. Müller, C. Dues, N. Rinn, S. Sanna, S. Chatterjee, D. Mollenhauer, S. Dehnen Towards Understanding the Reactivity and Optical Properties of Organosilicon Sulfide ClustersExterner Link Angew. Chem. Int. Ed. 2021, 60,1176 (doi: 10.1002/anie.202011370) Hot Paper, Cover Article
- C. Gawlig, J. Jung, D. Mollenhauer, S. Schindler Synthesis and characterization of copper complexes with tripodal ligands bearing amino acid groupsExterner Link Z. Anorg. Allg. Chem. 2021, 647, 951 (doi: 10.1002/zaac.202000320)
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2020
- J. Tschakert, Q. Zhong, D. Martin-Jimenez, J. Carracedo-Cosme, C. Romero-Muñiz, P. Henkel, T. Schlöder, S. Ahles, D. Mollenhauer, H. Wegner, P. Pou, R. Perez, A. Schirmeisen, D. Ebeling Surface-Controlled Reversal of the Selectivity of Halogen BondsExterner Link Nat. Commun. 2020, 5630 (doi: 10.1038/s41467-020-19379-4)
- S. Schwan, D. Schröder, H. A. Wegner, J. Janek, D. Mollenhauer Substituent pattern effects on the redox potentials of quinone-based active materials for aqueous redox flow batteriesExterner Link ChemSusChem 2020, 13, 5480 (doi: 10.1002/cssc.202000454)
- J. Hofmann, S. Schmalisch, S. Schwan, L. Hong, H. Wegner, D. Mollenhauer, J. Janek, D. Schröder Tailoring Dihydroxyphthalazines to Enable their Stable and Efficient Use in the Catholyte of Aqueous Redox Flow BatteriesExterner Link Chem. Mater. 2020, 32, 8, 342 (doi: 10.1021/acs.chemmater.9b05077)
- A. Zaichenko, D. Schröder, J. Janek, D. Mollenhauer Pathways to triplet or singlet oxygen during the dissociation of alkali superoxides – Insights by multireference calculations of molecular model systemsExterner Link Chem. Eur. J. 2020, 26, 2395 Hot Paper, Inside Cover Article
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2019
- O. Lenchuk, P. Adelhelm, D. Mollenhauer New insights into the origin of unstable sodium graphite intercalation compoundsExterner Link Phys. Chem. Chem. Phys. 2019, 21, 19378 (doi: 10.1039/C9CP03453F)
- O. Lenchuk, P. Adelhelm, D. Mollenhauer Comparative study of density functionals for the description of lithium-graphite intercalation compoundsExterner Link J. Comput. Chem. 2019, 40, 2400 (doi: 10.1002/jcc.26017)
- X. Gong, M. Taszarek, L. Schefzig, H.-U. Reissig, S. Thierbach, B. Wassermann, C. Graf, D. Mollenhauer, E. Ruehl Adsorption of Mono- and Divalent 4-(Dimethylamino)pyridines on Gold Surfaces: Studies by Surface-Enhanced Raman Scattering and Density Functional TheoryExterner Link Langmuir 2019, 35, 8667 (doi: 10.1021/acs.langmuir.9b00371)
- D. Martin-Jimenez, S. Ahles, D. Mollenhauer, H. A. Wegner, A. Schirmeisen, D. Ebeling Bond level imaging of the 3D conformation of adsorbed organic molecules using atomic force microscopy with simultaneous tunneling feedbackExterner Link Phys. Rev. Lett. 2019, 122, 196101 (doi: 10.1103/PhysRevLett.122.196101)
- E. Dornsiepen, F. Dobener, N. Mengel, O. Lenchuk, C. Dues, S. Sanna, D. Mollenhauer, S. Chatterjee, S. Dehnen White-Light Generation Upon In-Situ Amorphization of Single Crystals of [{(Me3P)3AuSn}(PhSn)3S6] and [{(Et3P)3AgSn}(PhSn)3S6]Externer Link Adv. Opt. Mater. 2019, 1801793 (doi: 10.1002/adom.201801793)
- D. Ebeling, Q. Zhong, T. Schlöder, J. Tschakert, P. Henkel, S. Ahles, L. Chi, D. Mollenhauer, H. A. Wegner, A. Schirmeisen Adsorption Structure of Mono- and Diradicals on a Cu(111) Surface: Chemoselective Dehalogenation of 4-Bromo-3″-iodo-p-terphenylExterner Link ACS Nano 2019, 13(1), 324 (doi: 10.1021/acsnano.8b06283)
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2018
- J. Yue, F. M. Badaczewski, P. Voepel, T. Leichtweiss, D. Mollenhauer, W. G. Zeier, B. M. Smarsly The critical role of the crystallite size of nanostructured Li4Ti5O12 anodes for litium ion batteriesExterner Link ACS Appl. Mater. Int. 2018, 10 (26), 22580 (doi: 10.1021/acsami.8b05057)
- S. Schaub, A. Miska, J. Becker, S. Zahn, D. Mollenhauer, S. Sadashivaiah, V. Schünemann, S. Schindler Water does not always hurt: synthesis of an iron(IV)aqua-oxido complex using ozone as an oxidantExterner Link Angew. Chem. Int. Ed. 2018, 57, 5355 (doi: 10.1002/anie.201800475)
- P. Hofmann, J. Ariai, A. Zaichenko, J. Janek, D. Mollenhauer, W. G. Zeier Structural analysis and electrochemical characterization of the cation-substituted lithium ion conductor Li1−xTi1−xMxOPO4 (M = Nb, Ta, Sb)Externer Link Solid State Ionics 2018, 319, 170 (doi: 10.1016/j.ssi.2018.01.049)
- J. D. Hofmann, F. Pfanschilling, N. Krawczyk, P. Geigle, L. Hong, S. Schmalisch, H. A. Wegner, D. Mollenhauer, J. Janek, D. Schröder The Quest for Organic Active Materials in Redox Flow Batteries: 2,3 Diaza-anthraquinones and their Electrochemical PropertiesExterner Link Chem. Mater. 2018, 30, 762 (doi: 10.1021/acs.chemmater.7b04220)
- M. Goktas, C. Bolli, E. J. Berg, P. Novak, K. Pollok, F. Langenhorst, M. v. Roeder, O. Lenchuk, D. Mollenhauer, P. Adelhelm Graphite as co-intercalation electrode for sodium-ion batteries: Electrode dynamics and the missing solid electrolyte interphaseExterner Link Adv. Energy Mater. 2018, 1702724 (doi: 10.1002/aenm.201702724)
- S. Piontek, C. Andronescu, A. Zaichenko, B. Konkena, K. junge Puring, B. Marler, H. Antoni, I. Sinev, M. Muhler, D. Mollenhauer, B. Roldan Cuenya, W. Schuhmann, U.-P. Apfel Influence of the Fe : Ni Ratio and Reaction Temperature on the Efficiency of (FexNi1-x)9S8 Electrocatalysts Applied in the Hydrogen Evolution ReactionExterner Link ACS Catal. 2018, 8, 987 (doi: 10.1021/acscatal.7b02617)
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2017
- D. Tietze, J. Sartorius, B. K. Seth, K. Herr, P. Heimer, D. Imhof, D. Mollenhauer, G. Buntkowsky New insights into the mechanism of nickel superoxide degradation from studies of model peptidesExterner Link Sci. Rep. 2017, 7, 17194 (doi: 10.1038/s41598-017-17446-3)
- P. Voepel, C. Seitz, J. M. Waack, S. Zahn, T. Leichtweiß, A. Zaichenko, D. Mollenhauer, H. Amenitsch, M. Voggenreiter, S. Polarz, B. M Smarsly Peering into the mechanism of low-temperature synthesis of Bronze-type TiO2 in Ionic LiquidsExterner Link Cryst. Growth Des. 2017, 17 (10), 5586 (doi: 10.1021/acs.cgd.7b01231)
- S. Zint, D. Ebeling, T. Schlöder, S. Ahles, D. Mollenhauer, H. A. Wegner, A. Schirmeisen Imaging Successive Intermediate States of the On-Surface Ullmann Reaction on Cu(111): Role of the Metal Coordination ACS Nano 2017, 11 (4), 4183 (doi: 10.1021/acsnano.7b01109)
- S. Zahn, J. Janek, D. Mollenhauer A Simple Ansatz to Predict the Structure of Li4Ti5O12Externer Link J. Electrochem. Soc. 2017, 164(2), A221 (doi: 10.1149/2.0771702jes)
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2016
- D. Mollenhauer, N. Gaston Phosphine passivated gold clusters: How charge transfer affects electronic structure and stabilityExterner Link Phys. Chem. Chem. Phys. 2016, 18, 29686 (doi: 10.1039/C6CP04562F) Cover Article
- S. Zahn, B. Kirchner, D. Mollenhauer Charge Spreading in Deep Eutectic SolventsExterner Link ChemPhysChem 2016, 17, 3354 (doi: 10.1002/cphc.201600348) Inside Cover Article
- M. Wern, T. Hoppe, J. Becker, S. Zahn, D. Mollenhauer, S. Schindler Sulfur versus Dioxygen: Dinuclear (Trisulfido)copper ComplexesExterner Link Eur. J. Inorg. Chem. 2016, 3384 (doi: 10.1002/ejic.201600614) Cover Article
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2015
- D. Mollenhauer Nitrogen- and phosphine-binding ligands in interaction with gold atoms, clusters, nanoparticles and surfacesExterner Link Chemical Modelling: Volume 12, 2015, 12, 293 (doi: 10.1039/9781782622703-00293)
- A. J. Achazi, D. Mollenhauer, B. Paulus First Principle Investigation of the Linker Length Effects on the Thermodynamics of Divalent PseudorotaxanesExterner Link Beilstein J. Org. Chem. 2015, 11, 687 (doi: 10.3762/bjoc.11.78)
- D. Mollenhauer, C. Brieger, E. Voloshina, B. Paulus Performance of Dispersion Corrected DFT for the Weak Interaction Between Aromatic Molecules and Extended Carbon-based SystemsExterner Link J. Phys. Chem. C 2015, 119 (4), 1898 (doi: 10.1021/jp5113312)
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2014
- D. Tietze, St. Voigt, D. Mollenhauer, G. Buntkowsky NMR Crystallography as a Novel Tool for the Understanding of the Mode of Action of Enzymes: SOD a Case StudyExterner Link Applied Magn. Res. 2014, 45, 841 (doi: 10.1007/s00723-014-0576-9)
- D. Mollenhauer, N. Gaston A Balanced Procedure for the Treatment of Cluster Ligand Interactions on Gold Phosphine Systems in CatalysisExterner Link J. Comput. Chem. 2014, 35, 965 (doi: 10.1002/jcc.23578) Cover Article
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2013 und früher
- D. Mollenhauer, N. Gaston, E. Voloshina, B. Paulus Interaction of Pyridine Derivatives with a Gold(111) Surface as a Model for the Adsorption to Large NanoparticlesExterner Link J. Phys. Chem. C 2013, 117, 4470 (doi: 10.1021/jp309625h)
- M. Molski, D. Mollenhauer, S. Gohr, B. Paulus, M. Khanfar, H. Shorafa, S. H. Strauss, K. Seppelt Halogenated Benzene Radical CationsExterner Link Chem. Eur. J. 2012, 18, 6644 (doi: 10.1002/chem.201102960)
- E. Voloshina, D. Mollenhauer, L. Chiappisi, B. Paulus Theoretical Study on the Adsorption of Pyridine Derivatives on GrapheneExterner Link Chem. Phys. Lett. 2011, 510, 220 (doi: 10.1016/j.cplett.2011.05.025)
- H. Lange, J. Maultzsch, W. Meng, D. Mollenhauer, B. Paulus, N. Peica, S. Schlecht, C. Thomsen Adsorption Behaviour of 4-Methoxypyridine on Gold NanoparticlesExterner Link Langmuir 2011, 27, 7258 (doi: 10.1021/la200919m)
- D. Mollenhauer, J. Floss, E. Voloshina, H.-U. Reissig, B. Paulus Accurate Quantum-chemical Description of Gold Pyridine and Derivatives ComplexesExterner Link J. Comput. Chem. 2011, 32, 1839 (doi: 10.1002/jcc.21765)
- D. Tietze, St. Voigt, D. Mollenhauer, M. Tischler, D. Imhof, T. Gutmann, L. Gonzalez, O. Ohlenschläger, H. Breitzke, M. Görlach, G. Buntkowsky Revealing the Position of the Substrate in NiSOD: A Model StudyExterner Link Angew. Chem. Int. Ed. 2011, 50, 2246 (doi: 10.1002/anie.201005027) D. Tietze, St. Voigt, D. Mollenhauer, M. Tischler, D. Imhof, T. Gutmann, L. Gonzalez, O. Ohlenschläger, H. Breitzke, M. Görlach, G. Buntkowsky Bestimmung der Substratposition in der Nickel-Superoxiddismutase: eine ModellstudieExterner Link Angew. Chem. 2011, 123, 3002 (doi: 10.1002/ange.201005027)
- D. Mollenhauer, I. Corral, L. Gonzalez Four plus Four State Intersections in the O-O Photolysis of Aromatic EndoperoxidesExterner Link J. Phys. Chem. Lett. 2010, 1, 1036 (doi: 10.1021/jz100196q)
- H. Shorafa, D. Mollenhauer, B. Paulus, K. Seppelt The Two Structures of the Hexafluorobenzene Radical Cation, C6F6+Externer Link Angew. Chem. Int. Ed. 2009, 48, 5845 (doi: 10.1002/anie.200900666) H. Shorafa, D. Mollenhauer, B. Paulus, K. Seppelt Die zwei Strukturen des Hexafluorbenzol-Radikalkation C6F6+Externer Link Angew. Chem. 2009, 121, 5959 (doi: 10.1002/ange.200900666)
Andere Publikationen
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2024
- Daria Stepaniuk, Doreen Mollenhauer Computational Modelling of Nitroconversion for Efficient Low-Temperature Electrochemical Synthesis of AmmoniaExterner Link Proceedings of MATSUS Spring 2025 Conference (MATSUSSpring25), Sevilla, Spain, 2025 March 3rd - 7th
- A. J. Achazi, D. Mollenhauer Data for "Development of a multi‐step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes"Externer Link JLUpub 2024, doi: 10.22029/jlupub-18222
- K. Wang, D. Mollenhauer Data for "Insight into the Li/LiPON Interface at the Molecular Level: Interfacial Decomposition and Reconfiguration"Externer Link JLUpub 2024, doi: 10.22029/jlupub-18527
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2023
- S. Schwan, D. Mollenhauer Insights into molecular cluster materials with adamantane-like core structure by considering dimer interactionsExterner Link Competence Center for High Performance Computing in Hessen (HKHLR), 2023
- D. S. Pietruschka, D. Mollenhauer On the protonation of Verdazyl species in aqueous acidic electrolytesExterner Link Competence Center for High Performance Computing in Hessen (HKHLR), 2023
- A. J. Achazi, K. L. H. Pohl, D. Mollenhauer Data for "Development of novel redox-active organic materials based on benzimidazole, benzoxazole, and benzothiazole – a combined theoretical and experimental screening approach"Externer Link JLUpub 2023, doi: 10.22029/jlupub-18094
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2022
- P. Henkel, D. Mollenhauer Investigation of vacancy diffusion in crystalline LIPON compounds by means of density functional theoryExterner Link Competence Center for High Performance Computing in Hessen (HKHLR), 2022
- O. Lenchuk, D. Mollenhauer Redox chemistry of ternary graphite intercalation compoundExterner Link Competence Center for High Performance Computing in Hessen (HKHLR), 2022
- S. Schwan, D. Mollenhauer Structure Data for "Increased molecular inhomogeneity and cluster glass formation as a basis for inexpensive white-light production"Externer Link JLUpub 2022, doi: 10.22029/jlupub-599
- S. Schwan, D. Mollenhauer Structure Structure Data for "Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactions"Externer Link JLUpub 2022, doi: 10.22029/jlupub-7654
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2021
- A. Zaichenko, D. Mollenhauer Ab initio calculations of the redox chemistry in alkali-oxygen batteriesExterner Link Competence Center for High Performance Computing in Hessen (HKHLR), 2021
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2011
- D. Mollenhauer, B. Paulus Mehrfachbindende Moleküle auf Goldnanopartikeln für die Medizin - Theoretische Untersuchung multivalenter WechselwirkungenExterner Link Forschung im HLRN-Verbund 2011, 1