Publikationen

2023

• Václav Hanus,  Sarayoo Kangaparambil, Martin Richter, Lukas Haßfurth, Martin Dorner-Kirchner, Gerhard G. Paulus, Xinhua Xie, Andrius Baltuška, Stefanie Gräfe und Markus Zeiler: Carrier envelope phase sensitivity of photoelectron circular dichroismExterner Link. Phys. Chem. Chem. Phys., (2023). 25, 4656-4666. doi: 10.1039/D2CP03077BExterner Link
• H. N. Gopalakrishna, R. Baruah, C. Hünecke, V. Korolev, M. Thümmler, A. Croy, M. Richter, F. Yahyaei, R. Hollinger, V. Shumakova, I. Uschmann, H. Marschner, M. Zürch, C. Reichardt, A. Undisz, J. Dellith, A. Pugžlys, A. Baltuška, C. Spielmann, U. Peschel, S. Gräfe, M. Wächtler und D. Kartashov: Tracing spatial confinement in semiconductor quantum dots by high-order harmonic generationExterner Link. Phys. Rev. Research 5, (2023), 013128, doi: 10.1103/PhysRevResearch.5.013128Externer Link
• Rešad Kahvedžić, Dino Habibović, Wilhelm Becker, Stefanie Gräfe und Dejan B. Milošević: Nondipole Effects in Atomic Ionization Induced by an Intense Counter-Rotating Bicircular Laser FieldExterner Link. ANN. PHYS. (2023), 2200616. doi: 10.1002/andp.202200616Externer Link

2022

• Bianca Seidler, Jens H. Tran, Julian Hniopek, Philipp Traber, Helmar Görls,  Stefanie Gräfe, Michael Schmitt, Jürgen Popp, Martin Schulz, Benjamin Dietzek-Ivanšić: Photophysics of Anionic Bis(4Externer LinkH-imidazolato)CuExterner Link^I ComplexesExterner Link. Chem. Eur. J. (2022), 28, e202202697, doi: 10.1002/chem.202202697Externer Link
• Ulf Peschel, Martin Thümmler, Thomas Lettau, Stefanie Gräfe und Kurt Busch: Two-particle tight-binding description of higher-harmonic generation in semiconductor nanostructuresExterner Link. Phys. Rev. B 106, 245307, DOI: 10.1103/PhysRevB.106.245307Externer Link
• Phillip Seeber, Sebastian Seidenath, Johannes Steinmetzer und Stefanie Gräfe: Growing Spicy ONIOMs: Extending and generalizing concepts of ONIOM and many body expansionsExterner Link. WIREs Comput Mol Sci. (2022). e1644. dor: 10.1002/wcms.1644 Externer Link
• Rešad Kahvedžić und Stefanie Gräfe: Shift of the photoelectron momentum against the radiation pressure force in linearly polarized intense midinfrared laser fieldsExterner Link. Phys. Rev. A 106, 043122 (2022). doi: 10.1103/PhysRevA.106.043122Externer Link
• B. Belsa, K. M. Ziems, A. Sanchez, K. Chirvi, X. Liu, S. Gräfe und J. Biegert: Laser-induced electron diffraction in the over-the-barrier-ionization regimeExterner Link. Phys. Rev. A 106, 043105, (2022). DOI:10.1103/PhysRevA.106.043105Externer Link
• Karl Michael Ziems, Jakob Bruhnke, Volker Engel und Stefanie Gräfe: Nuclear–Electron Correlation Effects and Their Photoelectron Imprint in Molecular XUV IonisationExterner Link. Front. Chem. 10, (2022), doi:10.3389/fchem.2022.942633Externer Link 
• Tianbai Huang, Stephan Kupfer, Martin Richter, Stefanie Gräfe und Robert Geitner: Bidentate Rh(I)-Phosphine Complexes for the C-H Activation of Alkanes: Computational Modelling and Mechanistic Insight.Externer Link ChemCatChem. Accepted Author Manuscript. (2022), doi: 10.1002/cctc.202200854 Externer Link
• Jannik Brückmann, Carolin Müller, Tamar Maisuradze, Alexander K Mengele, Djawed Nauroozi, Sven Fauth, Andreas Gruber, Stefanie Gräfe, Kerstin Leopold, Stephan Kupfer, Benjamin Dietzek-Ivanšić und Sven Rau: Pyrimidoquinazolinophenanthroline opens next chapter in design of bridging ligands for artificial photosynthesisExterner Link. Chem. Eur. J.,  accepted. doi: 10.1002/chem.202200766Externer Link
• Rešad Kahvedžić und Stefanie Gräfe: Strong-field approximation with leading-order nondipole correctionsExterner Link. Phys. Rev. A, 105, 063102, (2022) doi: 10.1103/PhysRevA.105.063102Externer Link
• Ahmad Q. Daraosheh, Hassan Abul-Futouh, Natsuki Murakami, Karl Michael Ziems, Helmar Görls, Stephan Kupfer, Stefanie Gräfe, Akihiko Ishii, Małgorzata Celeda, Grzegorz Mlostoń und Wolfgang Weigand: Novel [FeFe]-Hydrogenase Mimics: Unexpected Course of the Reaction of Ferrocenyl α-Thienyl Thioketone with FeExterner Link₃(CO)Externer Link₁₂. Materials, 15(8), 2867, (2022) DOI:10.3390/ma15082867Externer Link
• Tomoyuki Endo, Karl-Michael Ziems, Martin Richter, Friedrich G. Fröbel, Akiyoshi Hishikawa, Stefanie Gräfe, François Légaré und Heide Ibrahim: Post-Ionization Dynamics of the Polar Molecule OCS in Asymmetric Laser FieldsExterner Link accepted doi:10.3389/fchem.2022.859750Externer Link
• Jens Hoan Tran, Philipp Traber, Bianca Seidler, Helmar Görls, Stefanie Gräfe, Martin Schulz: Ligand-induced donor state destabilisation – a new route to panchromatically absorbing Cu(I) complexesExterner Link. Chem. Eur. J., Accepted Author Manuscript, DOI: 10.1002/chem.202200121Externer Link
• Philipp Buday, Chizuru Kasahara, Elisabeth Hofmeister, Daniel Kowalczyk, Micheal K. Farh, Saskia Riediger, Martin Schulz, Maria Wächtler, Shunsuke Furukawa, Masaichi Saito, Dirk Ziegenbalg, Stefanie Gräfe, Peter Bäuerle, Stephan Kupfer, Benjamin Dietzek-Ivanšić, Wolfgang Weigand:  Activating a [FeFe] Hydrogenase Mimic for Hydrogen Evolution under Visible Light.Externer Link Angew. Chem. Int. Ed.. Accepted Author Manuscript. (2022) https://doi.org/10.1002/anie.202202079Externer Link
• Michael G. Pfeffer, Carolin Müller, Evelyn T. E. Kastl, Alexander K. Mengele, Benedikt Bagemihl, Sven S. Fauth, Johannes Habermehl, Lydia Petermann, Maria Wächtler, Martin Schulz, Daniel Chartrand, François Laverdière, Phillip Seeber, Stephan Kupfer, Stefanie Gräfe, Garry S. Hanan, Johannes G. Vos, Benjamin Dietzek-Ivanšić und Sven Rau: Active repair of a dinuclear photocatalyst for visible-light-driven hydrogen productionExterner Link. Nat. Chem. (2022), doi: 10.1038/s41557-021-00860-6Externer Link
• Flavio L. Portwich, Yves Carstensen, Anindita Dasgupta, Stephan Kupfer, Ralf Wyrwa, Helmar Görls, Christian Eggeling, Benjamin Dietzek, Stefanie Gräfe, Maria Wächtler, Robert Kretschmer: A Highly Fluorescent Dinuclear Aluminium Complex with Near-Unity Quantum YieldExterner Link, Angew. Chem. Int. Ed.. Accepted Author Manuscript. doi: 10.1002/anie.202117499Externer Link
• Stefan Benndorf, Elisabeth Hofmeister, Maria Wächtler, Helmar Görls, Phil Liebing, Kalina Peneva, Stefanie Gräfe, Stephan Kupfer, Benjamin Dietzek, Wolfgang Weigand: Unravelling the Mystery: Enlightenment of the Uncommon Electrochemistry of Naphthalene Monoimde [FeFe] Hydrogenase MimicsExterner Link. Eur. J. Inorg. Chem., (2022), doi:10.1002/ejic.202100959Externer Link

2021

• Bianca Seidler, Maria Sittig, Clara Zens, Jens H. Tran, Carolin Müller, Ying Zhang, Kilian R. A. Schneider, Helmar Görls, Alexander Schubert, Stefanie Gräfe, Martin Schulz und Benjamin Dietzek: Modulating the Excited-State Decay Pathways of Cu(I) 4H-Imidazolate Complexes by Excitation Wavelength and Ligand BackboneExterner Link, J. Phys. Chem. B , 125 (41), 11498, (2021), DOI: 10.1021/acs.jpcb.1c06902Externer Link
• Sebastian Amthor, David Hernández-Castillo, Boris Maryasin, Phillip Seeber, Alexander K. Mengele, Stefanie Gräfe, Leticia González, Sven Rau: Strong Ligand Stabilization Based on π-Extension in a Series of Ruthenium Terpyridine Water Oxidation CatalystsExterner Link. Chem. Eur. J., 27, 16871, (2021), doi:10.1002/chem.202102905Externer Link
• Miftahussurur Hamidi Putra, Sebastian Seidenath, Stephan Kupfer, Stefanie Gräfe, Axel Groß: Coupling of photoactive transition metal complexes to a functional polymer matrixExterner Link, Chem. Eur. J., 27, 17104, (2021), doi:10.1002/chem.202102776Externer Link
• Raul D. Rodriguez,  Carlos J. Villagómez, Amirhassan Khodadadi, Stephan Kupfer, Andrey Averkiev, Lina Dedelaite, Feng Tang, Mohammad Y. Khaywah, Vladimir Kolchuzhin, Arunas Ramanavicius, Pierre-Michel Adam, Stefanie Gräfe, and Evgeniya Sheremet: Chemical Enhancement vs Molecule–Substrate Geometry in Plasmon-Enhanced SpectroscopyExterner Link, ACS Photonics, 8(8), 2243, (2021), 10.1021/acsphotonics.1c00001Externer Link
• D. Kaiser, Z. Tang, M. Küllmer, C. Neumann, A. Winter, R. Kahle, L. Georgi,
  T. Weimann, M. Siegmann, S. Gräfe, A. Centeno, A. Zurutuza, A. Turchanin: pH Sensors Based on Amino-Terminated Carbon Nanomembrane and Single Layer Graphene van der Waals HeterostructuresExterner Link, App. Phys. Rev., 8(3), 031410, (2021), DOI: 10.1063/5.0040442Externer Link
• Philipp Wustelt, Florian Oppermann, Saurabh Mhatre, Matthias Kübel, A. Max Sayler, Manfred Lein, Stefanie Gräfe und Gerhard G. Paulus: Laser-Driven Anharmonic Oscillator: Ground-State Dissociation of the Helium Hydride Molecular Ion by Midinfrared PulsesExterner Link, Phys. Rev. Lett. 127, 043202 (2021), 10.1103/PhysRevLett.127.043202Externer Link
• Ivan Gonoskov und Stefanie Gräfe: Light–matter quantum dynamics of complex laser-driven systemsExterner Link, J. Chem. Phys. 154, 234106 (2021), 10.1063/5.0048930Externer Link
• A. Sanchez, K. Amini, SJ Wang et al. Molecular structure retrieval directly from laboratory-frame photoelectron spectra in laser-induced electron diffraction.Externer Link Nat Commun 12, 1520 (2021). 10.1038/s41467-021-21855-4 Externer Link
• K. Fiederling, S. Kupfer und S. Gräfe: Are charged tips driving TERS-resolution? A full quantum chemical approachExterner Link, J. Chem. Phys. 154, 034106 (2021), 10.1063/5.0031763Externer Link
• Lei Ouyang, Tobias Meyer-Zedler, Kel-Meng See, Wei-Liang Chen, Fan-Cheng Lin, Denis Akimov, Sadaf Ehtesabi, Martin Richter, Michael Schmitt, Yu-Ming Chang, Stefanie Gräfe, Jürgen Popp, and Jer-Shing Huang: Spatially Resolving the Enhancement Effect in Surface-Enhanced Coherent Anti-Stokes Raman Scattering by Plasmonic Doppler GratingsExterner Link, ACS Nano, (2021), 10.1021/acsnano.0c07198Externer Link
• Robert Geitner, Andrei Gurinov, Tianbai Huang, Stephan Kupfer, Stefanie Gräfe, Bert M. Weckhuysen: Reaction Mechanism of Pd‐Catalyzed “CO‐Free” Carbonylation Reaction Uncovered by In Situ Spectroscopy: The Formyl MechanismExterner Link, Ang. Chem., (2020), 10.1002/anie.202011152Externer Link
• B. Belsa, K. Amini, X. Liu, A. Sanchez, T. Steinle, J. Steinmetzer, A. T. Le, R. Moshammer, T. Pfeifer, J. Ullrich, R. Moszynski, C. D. Lin, S. Gräfe, and J. Biegert: Laser-induced electron diffraction of the ultrafast umbrella motion in ammoniaExterner Link, Structural Dynamics 8, 014301 (2021), 10.1063/4.0000046 Externer Link
• Robert Geitner, Tianbai Huang, Stephan Kupfer, Stefanie Gräfe, Florian Meirer und Bert M. Weckhuysen: New insights into the biphasic “CO-free” Pauson–Khand cyclisation reaction through combined in situ spectroscopy and multiple linear regression modellingExterner Link, Catal. Sci. Technol., (2021),  10.1039/D0CY02267EExterner Link
• Johannes  Steinmetzer, Stephan Kupfer und Stefanie Gräfe: pysisyphus: Exploring potential energy surfaces in ground and excited statesExterner Link, Int J. Quantum Chem., (2020), 10.1002/qua.26390Externer Link

2020

• Anik Sen, Stephan Kupfer, Stefanie Gräfe und Axel Groβ: The role of anchoring groups in ruthenium(II)-bipyridine sensitized p-type semiconductor solar cells—a quantum chemical approachExterner Link, J. Phys. B: At. Mol. Opt. Phys., 53, 234001, (2020), doi: 10.1088/1361-6455/abb2d9Externer Link
• Robert Geitner, Andrei Gurinov, Tianbai Huang, Stephan Kupfer, Stefanie Graefe und Bert Marc Weckhuysen: Reaction Mechanism of Pd‐catalyzed "CO‐free" Carbonylation Reaction Uncovered by In‑situ Spectroscopy: The Formyl MechanismExterner Link, Angew. Chem. Int. Ed.. Accepted Author Manuscript.doi:10.1002/anie.202011152 Externer Link
• Carolin Müller,  Martin Schulz,  Marc Obst,  Linda Zedler, Stefanie Gräfe, Stephan Kupfer und Dietzek, Benjamin: Role of MLCT States in the Franck–Condon Region of Neutral, Heteroleptic Cu(I)–4Externer LinkH-imidazolate Complexes: A Spectroscopic and Theoretical StudyExterner Link, J. Phys. Chem. A (2020), 124(33), 6607–6616, 10.1021/acs.jpca.0c04351Externer Link
• Philipp Buday, Phillip Seeber, Clara Zens, Hassan Abul‐Futouh, Helmar Görls, Stefanie Gräfe, Piotr Matczak, Stephan Kupfer, Wolfgang Weigand und Grzegorz Mloston: Iron(0)‐Mediated Stereoselective (3+2)‐Cycloaddition of Thiochalcones via a Diradical IntermediateExterner Link, Chem. Eur. J., (2020), 10.1002/chem.202001412Externer Link
• F Oppermann, P Wustelt, T Florin, S Mhatre, S Gräfe, G G Paulus und M Lein: Dissociation and ionization of HeHExterner Link + in sub-cycle-controlled intense two-color fieldsExterner Link, J. Phys. B: At. Mol. Opt. Phys., 53(17), 174001, DOI: 10.1088/1361-6455/ab9a93Externer Link
• Friedrich Fröbel, Karl Michael Ziems, Ulf Peschel, Stefanie Gräfe und Alexander Schubert: The impact of electron–electron correlation in ultrafast attosecond single ionization dynamicsExterner Link, J. Phys. B: At. Mol. Opt. Phys., 53(14), 144005, (2020), DOI: 10.1088/1361-6455/ab8c21Externer Link
• Kevin Fiederling,   Mostafa Abasifard,   Martin Richter,   Volker Klaus Deckert,   Stefanie Gräfe und  Stephan Kupfer:  The Chemical Effect Goes Resonant - A Full Quantum Mechanical Approach on TERSExterner Link, Nanoscale (2020), 10.1039/C9NR09814CExterner Link

2019

• Veit G. Haensch, Toni Neuwirth, Johannes Steinmetzer, Florian Kloss, Rainer Beckert, Stefanie Gräfe, Stephan Kupfer und Christian Hertweck: Metal‐Free Aryl Cross‐Coupling Directed by Traceless LinkersExterner Link, Chem. Eur. J. (2019),  10.1002/chem.201903582Externer Link
• Zedler, L. , Mengele, A. K., Ziems, K. M., Zhang, Y. , Wächtler, M. , Gräfe, S. , Pascher, T. , Rau, S., Kupfer, S. und Dietzek, B.: Unraveling the Light‐Activated Reaction Mechanism in a Catalytically Competent Key Intermediate of a Multifunctional Molecular Catalyst for Artificial Photosynthesis,Externer Link Angew. Chem. Int. Ed., (2019); 10.1002/anie.201907247Externer Link
• Xinyao Liu, Kasra Amini, Tobias Steinle, Aurelien Sanchez, Moniruzzaman Shaikh, Blanca Belsa, Johannes Steinmetzer, Anh-Thu Le, Robert Moshammer, Thomas Pfeifer, Joachim Ullrich, Robert Moszynski, C. D. Lin, Stefanie GräfeundJens Biegert
  Imaging an isolated water molecule using a single electron wave packetExterner Link,
  J. Chem. Phys. 151, 024306 (2019); 10.1063/1.5100520Externer Link
• Matthias Paul und Stefanie Gräfe. Strong-field ionization dynamics of asymmetric equilateral triatomic model molecules in circularly polarized laser fieldsExterner Link, Phys. Rev. A 99(5), 053414, (2009), 10.1103/PhysRevA.99.053414Externer Link
• Jingjing Liua, Patrick Hoffmann, Johannes Steinmetzer, Sven H. C. Askes, Stephan Kupfer, Helmar Görls, Stefanie Gräfe, Ute Neugebauer, Upendar Reddy Gandra, Alexander Schiller. Visible light-activated biocompatible photo-CORM for CO-release with colorimetric and fluorometric dual turn-on responseExterner Link, Polyhedron, in press, (2019), 10.1016/j.poly.2019.04.031Externer Link
• Kasra Amini, Michele Sclafani, Tobias Steinle, Anh-Thu Le, Aurelien Sanchez, Carolin Müller, Johannes Steinmetzer, Lun Yue, José Ramón Martínez Saavedra, Michaël Hemmer, Maciej Lewenstein, Robert Moshammer, Thomas Pfeifer, Michael G. Pullen, Joachim Ullrich, Benjamin Wolter, Robert Moszynski, F. Javier García de Abajo, C. D. Lin, Stefanie Gräfe, und Jens Biegert. Imaging the Renner–Teller effect using laser-induced electron diffractionExterner Link, PNAS 116 (17) 8173-8177 (2019), 10.1073/pnas.1817465116Externer Link.

2018

• Karl Michael Ziems, Stefanie Gräfe und Stephan Kupfer,
  Photo-Induced Charge Separation vs. Degradation of a BODIPY-Based Photosensitizer Assessed by TDDFT and RASPT2.Externer Link
  Catalysts, 8(11), 520 (2018).
• Lun Yue, Philipp Wustelt, A. Max Sayler, Florian Oppermann, Manfred Lein, Gerhard G. Paulus und Stefanie Gräfe,
  Strong-field polarizability-enhanced dissociative ionization.Externer Link
  Phys. Rev. A, 98(4), 043418 (2018).
• Ying Zhang, Philipp Traber, Linda Zedler, Stephan Kupfer, Stefanie Gräfe, Martin Schulz, Wolfgang Frey, Michael Karnahl und Benjamin Dietzek,
  Cu(I) vs. Ru(II) photosensitizers: elucidation of electron transfer processes within a series of structurally related complexes containing an extended p-system.Externer Link
  Phys. Chem. Chem. Phys., 10.1039/C8CP04595J (2018).
• Stefan Götz, Robert Geitner, Marcus Abend, Michael Siegmann, Stefan Zechel, Jürgen Vitz, Stefanie Gräfe, Michael Schmitt, Jürgen Popp, Martin D. Hager und Ulrich S. Schubert,
  Palladium-SCS Pincer Complexes as Cross-Linking Moieties in Self-Healing Metallopolymers.Externer Link
  Macromolecular Rapid Communications, 10.1002/marc.201800495, 1800495 (2018).
• Philipp Wustelt, Florian Oppermann, Lun Yue, Max Möller, Thomas Stöhlker, Manfred Lein, Stefanie Gräfe, Gerhard G. Paulus und A. Max Sayler,
  Heteronuclear Limit of Strong-Field Ionization: Fragmentation of HeHExterner Link⁺ by Intense Ultrashort Laser PulsesExterner Link. Phys. Rev. Lett., 121(7), 073203 (2018).
• Julian Schindler, Philipp Traber, Linda Zedler, Ying Zhang, Jean-Francois Lefebvre, Stephan Kupfer, Stefanie Gräfe, Martine Demeunynck, Murielle Chavarot-Kerlidou und Benjamin Dietzek,
  Photophysicsof a Ruthenium Complex with a π-Extended Dipyridophenazine Ligand for DNA Quadruplex LabelingExterner Link. J. Phys. Chem. A, 10.1021/acs.jpca.8b05274 (2018).
• Matthias Paul, Lun Yue, and Stefanie Gräfe
  Imprints of the Molecular Electronic Structure in the Photoelectron Spectra of Strong-Field Ionized Asymmetric Triatomic Model MoleculesExterner Link
  Phys. Rev. Lett. 120, 233202, (2018), 10.1103/PhysRevLett.120.233202Externer Link.
• Jean-François Lefebvre, Julian Schindler, Philipp Traber, Ying Zhang, Stephan Kupfer,  Stefanie Gräfe, Isabelle Baussanne, Martine Demeunynck, Jean-Marie Mouesca, Serge Gambarelli, Vincent Artero, Benjamin Dietzek and Murielle Chavarot-Kerlidou,
  An artificial photosynthetic system for photoaccumulation of two electrons on a fused dipyridophenazine (dppz)–pyridoquinolinone ligandExterner Link
  Chem. Sci., 2018,9, 4152-4159,  10.1039/C7SC04348AExterner Link.
• Robert Geitner, Stefan Götz, Robert Stach, Michael Siegmann, Patrick Krebs, Stefan Zechel, Kristin Schreyer, Andreas Winter, Martin D. Hager, Ulrich S. Schubert, Stefanie Gräfe, Benjamin Dietzek, Boris Mizaikoff, Michael Schmitt and Jürgen Popp,
  Hydrogel-Embedded Model Photocatalytic System Investigated by Raman and IR Spectroscopy Assisted by Density Functional Theory Calculations and Two-Dimensional Correlation AnalysisExterner Link
  J. Phys. Chem. A, 2018, 122 (10), pp 2677–2687, 10.1021/acs.jpca.7b12648Externer Link.
• Kilian R. A. Schneider, Philipp Traber, Christian Reichardt, Henning Weiss, Stephan Kupfer, Helmar Görls, Stefanie Gräfe, Wolfgang Weigand, and Benjamin Dietzek,
  Unusually Short-Lived Solvent-Dependent Excited State in a Half-Sandwich Ru(II) Complex Induced by Low-Lying Externer Link³MC StatesExterner Link, 
  J. Phys. Chem. A, 2018, 122 (6), pp 1550–1559, 10.1021/acs.jpca.7b11470Externer Link
• Stephan Kupfer, Daniel Kinzel, Michael Siegmann, Jule Philipp, Benjamin Dietzek, and Stefanie Gräfe, Fate of Photoexcited Molecular Antennae - Intermolecular Energy Transfer versus Photodegradation Assessed by Quantum DynamicsExterner Link,
  J. Phys. Chem. C, 2018, 122 (6), pp 3273–3285, 10.1021/acs.jpcc.7b12190Externer Link.
• Julian Schindler, Ying Zhang, Philipp Traber, Jean-François Lefebvre, Stephan Kupfer, Martine Demeunynck, Stefanie Gräfe, Murielle Chavarot-Kerlidou, and Benjamin Dietzek,
  A ππ* State Enables Photoaccumulation of Charges on a π‑Extended Dipyridophenazine Ligand in a Ru(II) Polypyridine ComplexExterner Link,
  J. Phys. Chem. C, 2018, 122 (1), pp 83–95,  10.1021/acs.jpcc.7b08989Externer Link.

2017

• Stefan Zechel, Robert  Geitner, Marcus  Abend, Michael  Siegmann, Marcel  Enke, Natascha Kuhl, Moritz  Klein, Jürgen  Vitz, Stefanie  Gräfe, Benjamin  Dietzek, Michael  Schmitt, Jürgen  Popp, Ulrich S.  Schubert und Martin D.  Hager, Intrinsic self-healing polymers with a high E-modulus based on dynamic reversible urea bonds.Externer Link NPG Asia Materials, 9, e420 (2017).
• Alexander Schiller, Upendar Reddy  Gandra, Jingjing  Liu,  Patrick  Hoffmann,  Johannes Steinmetzer, Stephan  Kupfer,   Helmar  Görls, Sven H.C.  Askes, Ute  Neugebauer und Stefanie  Gräfe,
  Light-Responsive Paper Strips as CO-Releasing Material with a Colourimetric Response.Externer Link 
  Chem. Sci., 10.1039/C7SC01692A (2017).
• Alexander Koch, Daniel Kinzel, Fabian Dröge, Stefanie Gräfe und Stephan Kupfer,
  Photochemistry and Electron Transfer Kinetics in a Photocatalyst Model Assessed by Marcus Theory and Quantum Dynamics.Externer Link J. Phys. Chem. C, 10.1021/acs.jpcc.7b02812 (2017).
• Wolfgang Weigand, Hassan  Abul-Futouh, Yulian Zagranyarski, Carolin Müller, Martin SchulzExterner Link, Stephan KupferExterner Link,  Helmar Görls, Mohammad Yaseen  El-khateeb, Stefanie  GräfeExterner Link, Benjamin DietzekExterner Link und Kalina Peneva, [FeFe]-Hydrogenase H-Cluster Mimics Mediated by Naphthalene Monoimide Derivatives of Peri-Substituted Dichalcogenides.Externer Link Dalton Transactions, 10.1039/C7DT02079A (2017).
• Sonia Erattupuzha, Cody L Covington, Arthur Russakoff, Erik Lötstedt, Seyedreza Larimian, Václav Hanus, Sergiy Bubin, Markus Koch, Stefanie Gräfe, Andrius Baltuška, Xinhua Xie, Kaoru Yamanouchi, Kálmán Varga und Markus Kitzler,
  Enhanced ionisation of polyatomic molecules in intense laser pulses is due to energy upshift and field coupling of multiple orbitals.Externer Link J. Phys. B, 50(12), 125601 (2017).
• Mirjam Falge, Friedrich Georg Fröbel, Volker Engel und Stefanie Gräfe,
  Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system.Externer Link PCCP, 10.1039/C7CP01832K (2017).
• Danilo Zille, D. Seipt, M. Möller, S. Fritzsche, Stefanie Gräfe, C. Müller und G. G. Paulus,
  Spin-dependent rescattering in strong-field ionization of helium.Externer Link J. Phys. B, 50(4), 065001 (2017).
• Matthias Paul, Lun Yue und Stefanie Gräfe, Strong-field ionization of asymmetric triatomic model molecules by few-cycle circularly polarized laser pulses.Externer Link J. Mod. Opt., 64(10-11), 1104-1111 (2017).

2016

• B. Wolter, M. G. Pullen, A.-T. Le, M. Baudisch, K. Doblhoff-Dier, A. Senftleben, M. Hemmer, C. D. Schröter, J. Ullrich, T. Pfeifer, R. Moshammer, S. Gräfe, O. Vendrell, C. D. Lin und J. Biegert,
  Ultrafast electron diffraction imaging of bond breaking in di-ionized acetylene.Externer Link
  Science, 354(6310), 308-312 (2016).
• Jean-François Lefebvre, Dounia Saadallah, Philipp Traber, Stephan Kupfer, Stefanie Gräfe, Benjamin Dietzek, Isabelle Baussanne, Julien De Winter, Pascal Gerbaux, Cécile Moucheron, Murielle Chavarot-Kerlidou und Martine Demeunynck, Synthesis of three series of ruthenium tris-diimine complexes containing acridine-based π-extended ligands using an efficient ''chemistry on the complex'' approach.Externer Link Dalton Transactions, 10.1039/C6DT02944B (2016).
• Julian Schindler, Stephan Kupfer, Linda Zedler, Maria Wächtler, Stefanie Gräfe, Aoife A. Ryan, Mathias Senge und Benjamin Dietzek, Spectroelectrochemical Investigation of the One-electron Reduction of Non-planar Nickel(II) Porphyrins.Externer Link ChemPhysChem, 10.1002/cphc.201600698 (2016).
• Christian Reichardt, Tariq Sainuddin, Maria Wächtler, Susan Monro, Stephan Kupfer, Julien Guthmuller, Stefanie Gräfe, Sherri McFarland und Benjamin Dietzek, Influence of Protonation State on the Excited State Dynamics of a Photobiologically Active Ru(II) Dyad.Externer Link J. Phys. Chem. A, 120(32), 6379-6388 (2016).
• Katharina Doblhoff-Dier, Markus Kitzler und Stefanie Gräfe, Theoretical investigation of alignment-dependent intense-field fragmentation of acetylene.Externer Link Phys. Rev. A, 94(1), 013405 (2016).
• Robert Geitner, Julia Kötteritzsch, Michael Siegmann, Robby Fritzsch, Thomas Bocklitz, Martin Hager, Ulrich. S. Schubert, Stefanie Gräfe, Benjamin Dietzek, Michael Schmitt und Jürgen Popp,
  Molecular self-healing mechanisms between CExterner Link₆₀-fullerene and anthracene unveiled by Raman and two-dimensional correlation spectroscopy.Externer Link Phys. Chem. Chem. Phys., 18(27), 17973-17982 (2016).
• Stephan Kupfer, Volker Deckert und Stefanie Gräfe, Isotopic Effects in (Surface Enhanced) Raman Spectroscopy — Single Molecule Aspects.Externer Link Asian J. Physics , 25(2), 167-177 (2016).
• Federico Latorre, Stephan Kupfer, Thomas Bocklitz, Daniel Kinzel, Steffen Trautmann, Stefanie Gräfe und Volker Deckert, Spatial resolution of tip-enhanced Raman spectroscopy – DFT assessment of the chemical effect.Externer Link Nanoscale, 8, 10229-10239 (2016).

2015

• Paul Tiwald, Ferenc Karsai, Robert Laskowski, Stefanie Gräfe, Peter Blaha, Joachim Burgdörfer und Ludger Wirtz, Ab initio perspective on the Mollwo-Ivey relation for Externer LinkF centers in alkali halides. Phys. Rev. B, 92(14), 144107 (2015).
• Tobias Becker, Stephan Kupfer, Martin Wolfram, Helmar Görls, Ulrich S. Schubert, Eric V. Anslyn, Benjamin Dietzek, Stefanie Gräfe und Alexander Schiller, Sensitization of NO-Releasing Ruthenium Complexes to Visible Light.Externer Link Chemistry - A European Journal, 10.1002/chem.201502091 (2015).
• Julia Greiser, Tino Hagemann, Tobias Niksch, Philipp Traber, Stephan Kupfer, Stefanie Gräfe, Helmar Görls, Wolfgang Weigand und Martin Freesmeyer,  Synthesis and Characterization of GaExterner Link^III, InExterner Link^III and LuExterner Link^III Complexes of a Set of dtpa Bis-Amide Ligands.Externer Link
  Europ. J. Inorg. Chem., 10.1002/ejic.201500436 (2015).
• Stefanie Habenicht, Michael Siegmann, Stephan Kupfer, Joachim Kübel, Dieter Weiß, Doreen Cherek, Uwe Möller, Benjamin Dietzek, Stefanie Gräfe und Rainer Beckert,
  And yet they glow: thiazole based push-pull fluorophores containing nitro groups and the influence of regioisomerism.Externer Link Methods Appl. Fluoresc., 3(2), 025005 (2015).
• Robert Geitner, Julia Kötteritzsch, Michael Siegmann, Thomas Bocklitz, Martin D. Hager, Ulrich S. Schubert, Stefanie Gräfe, Benjamin Dietzek, Michael Schmitt und Jürgen Popp,
  Two-dimensional Raman correlation spectroscopy reveals molecular structural changes during temperature-induced self-healing in polymers based on the Diels-Alder reaction.Externer Link
  Phys. Chem. Chem. Phys., 10.1039/C5CP02151K (2015).

2014

• M. G. Pfeffer, Linda Zedler, Stephan Kupfer, Matthias Paul, Matthias Schwalbe, K. Peuntinger, D. M. Guldi, Julien Guthmuller, Jürgen Popp, Stefanie Gräfe, Benjamin Dietzek und Sven Rau, Tuning of photocatalytic activity by creating a tridentate coordination sphere for palladium.Externer Link Dalton Trans., 43(30), 11676-11686 (2014).
• Stephan Kupfer, Linda Zedler, Julien Guthmuller, Stefan Bode, Martin D. Hager, Ulrich S. Schubert, Jürgen Popp, Stefanie Gräfe und Benjamin Dietzek, Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy.Externer Link Phys Chem Chem Phys, 16(24), 12422-12432 (2014).
• Xinhua Xie, Katharina Doblhoff-Dier, Huailiang Xu, Stefan Roither, Markus S. Schöffler, Daniil Kartashov, Sonia Erattupuzha, Tim Rathje, Gerhard G. Paulus, Kaoru Yamanouchi, Andrius Baltuška, Stefanie Gräfe und Markus Kitzler, Selective Control over Fragmentation Reactions in Polyatomic Molecules Using Impulsive Laser Alignment.Externer Link Phys. Rev. Lett., 112, 163003 (2014).
• Ferenc Karsai, Paul Tiwald, Robert Laskowski, Fabien Tran, David Koller, Stefanie Gräfe, Joachim Burgdörfer, Ludger Wirtz und Peter Blaha, F center in lithium fluoride revisited: Comparison of solid-state physics and quantum-chemistry approaches.Externer Link Phys. Rev. B, 89, 125429 (2014).

2013

• P. Tiwald, Stefanie Gräfe, Joachim Burgdörfer und L. Wirtz,
  Towards an ab-initio description of the charge transfer between a proton and a lithium fluoride surface: a quantum chemistry approach.Externer Link Nucl. Instrum. Meth. B, 317 Part A, 18-22 (2013).
• Katharina Doblhoff-Dier, Konstantinos I. Dimitriou, André Staudte und Stefanie Gräfe,
  Classical analysis of Coulomb effects in strong-field ionization of HExterner Link₂⁺ by intense circularly polarized laser fields.Externer Link Phys. Rev. A, 88(3), 033411 (2013).
• Xinhua Xie, Stefan Roither, Stefanie Gräfe, Daniil Kartashov, Emil Persson, Christoph Lemell, Li Zhang, Markus S. Schöffler, Andrius Baltuška, Joachim Burgdörfer und Markus Kitzler, Probing the influence of the Coulomb field on atomic ionization by sculpted two-color laser fields.Externer Link New J. Phys., 15(4), 043050 (2013).
• K. I. Dimitriou, C. Lemell, D. Arbó, X.-M. Tong, Joachim Burgdörfer und Stefanie Gräfe,
  Classical-quantum correspondence in atomic ionization by mid-infrared pulses: Multiple peak and interference structures.Externer Link Phys. Rev. A, 87(1), 013421-1 - 013421-9 (2013).

2012

• X. Xie, Katharina Doblhoff-Dier, S. Roither, M. S. Schöffler, Daniil Kartashov, H. Xu, T. Rathje, Gerhard G. Paulus, A. Baltuska, Stefanie Gräfe und M. Kitzler, Attosecond recollision-controlled selective fragmentation of polyatomic molecules.Externer Link Phys. Rev. Lett., 109(24), 243001-1 - 243001-5. (2012).
• M. Spanner, Stefanie Gräfe, S. Chelkovski, A. Bardon, D. Pavicic, M. Meckel, D. Zeidler, B. Ulrich, A. D. Bandrauk, D. M. Villeneuve, R.P. B. Dörner, A. Corkum und Staudte, Coulomb asymmetry and sub-cycle electron dynamics in multiphoton multiple ionization of HExterner Link₂.Externer Link J. Phys. B, 45(19), 194011-1 - 194011-10. (2012).
• Mirjam Falge, Volker Engel und Stefanie Gräfe,  Fingerprints of adiabatic versus diabatic vibronic dynamics in the asymmetry of photoelectron momentum distributions.Externer Link J. Phys. Chem. Lett., 3(18), 2617-2620. (2012).
• Stefanie Gräfe, Jens Doose und Joachim Burgdörfer, Quantum phase-space analysis of electronic rescattering dynamics in intense few-cycle laser fields.Externer Link J. Phys. B, 45(5), 055002-1 - 055002-15. (2012).
• X. Xie, S. Roither, Daniil Kartashov, E. Persson, D. G. Arbó, L. Zhang, Stefanie Gräfe, M.S. Schöffler, Joachim Burgdörfer, A. Baltuska und M. Kitzler, Attosecond probe of valence electron wavepackets by sub-cycle sculpted laser fields.Externer Link Phys. Rev. Lett., 108(19), 193004-1 - 193004-5. (2012).
• L. Zhang, S. Roither, X. Xie, Daniil Kartashov, M. Schöffler, H. Xu, A. Iwasaki, Stefanie Gräfe, T. Okino, K. Yamanouchi, A. Baltuka und M. Kitzler,
  Path-selective investigation of intense laser pulse-induced fragmentation dynamics in triply charged 1,3-butadiene.Externer Link J. Phys. B, 45(8), 085603-1 - 085603-12. (2012).
• Christoph Lemell, Konstantinos I. Dimitriou, Xiao-Min Tong, Stefan Nagele, Daniil V. Kartashov, Joachim Burgdörfer und Stefanie Gräfe, Low-energy peak structure in strong-field ionization by mid-infrared laser-pulses: two-dimensional focusing by the atomic potential.Externer Link Phys. Rev. A, 85(1), 011403-1(R) - 011403-5(R). (2012).
• G. Wachter, E. Persson, M. Pichler, T. Hisch, Joachim Burgdörfer und Stefanie Gräfe,
  Quantum control of electron wavepacket dynamics in molecules by trains of half-cycle pulses. J. Phys.: Conf. Ser., 388, 012033-1 - 012033-8 (2012).

2011

• Emil Persson, Markus Pichler, Georg Wachter, Thomas Hisch, Werner Jakubetz, Joachim Burgdörfer und Stefanie Gräfe, Quantum control of electron wave packets in bound molecules by trains of half-cycle pulses.Externer Link Phys. Rev. A, 84(4), 043421-1 - 043421-10. (2011).
• Mirjam Falge, Volker Engel und Stefanie Gräfe, Time-resolved photoelectron spectroscopy of coupled electron-nuclear motion.Externer Link J. Chem. Phys., 134(18), 184307-1 - 184307-8. (2011).

2010

• P. Tiwald, A. Schüller, H. Winter, K. Tökesi, F. Aigner, Stefanie Gräfe, Christoph Lemell und Joachim Burgdörfer, Rainbow scattering as a probe of atom-surface potentials.Externer Link Phys. Rev. B , 82(12), 125453-1 - 125453-11 (2010).

2009

• Emil Persson, Joachim Burgdörfer und Stefanie Gräfe, Quantum control of electron localization in molecules driven by trains of half-cycle pulses.Externer Link New. J. Phys., 11, 105035-1 - 105035-18. (2009).

2008

• Stefanie Gräfe und Misha Yu. Ivanov, On the Electron Localization Dynamics Induced by Laser-Driven Electronic Rescattering.Externer Link J. Mod. Optics, 55(16), 2557- 2572 (2008).
• Stefanie Gräfe, Volker Engel und Misha Yu. Ivanov,
  Attosecond photoelectron spectroscopy of electron tunneling in a dissociating hydrogen molecular ion.Externer Link Phys. Rev. Lett., 101(10), 103001-1 - 103001-4. (2008).
• Rune Lausten, Olga Smirnova, Benjamin J. Sussman, Stefanie Gräfe, Anders S. Mouritzen und Albert Stolow, Time- and Frequency Resolved Coherent Anti-Stokes Scattering Spectroscopy with sub-25 fs Laser pulses.Externer Link J. Chem. Phys., 128(24), 244310-1 - 244310-13. (2008).

2007

• Stefanie Gräfe und Misha Yu. Ivanov, Effective fields in laser-driven electron recollision and charge localization.Externer Link Phys. Rev. Lett., 99(16), 163603-1 - 163603-4. (2007).
• Stefanie Gräfe, Wolfgang Kiefer und Volker Engel, On the limitations of adiabatic population transfer between molecular electronic states induced by intense femtosecond laser pulses.Externer Link J. Chem. Phys., 127(13), 134306-1 - 134306-6. (2007).
• Stefanie Gräfe, Philipp Marquetand und Volker Engel, Corrigendum to: Classical aspects emerging from local control of energy and particle transfer in molecules.Externer Link J. Photochem. Photobiol. A, 189(1), 145 (2007).
• Benjamin Dietzek, Stefanie Gräfe, Michael Schmitt, Arkady Yartsev, Torbjorn Pascher, Villy Sundstrom, Wolfgang Kiefer und Misha Yu Ivanov, Experimental Observation of Different-Order Components of a Vibrational Wave Packet in a Bulk Dielectric Using High-Order Raman Scattering.Externer Link Physical Review Letters, 98(18), 187402 (2007).
• Stefanie Gräfe, Denis A. Akimov, Belinda Böhm, Aleksei M. Zheltikov, Marlan O. Scully, Volker Engel, Wolfgang Kiefer und Torsten Siebert, Strong-field dressing of vibrational manifolds within ultrafast coherent Raman excitation.Externer Link J. Raman Spectrosc. , 38(8), 998-1005 (2007).

2006

• Stefanie Gräfe und Volker Engel, Local control theory applied to coupled electronic and nuclear motion.Externer Link Chem. Phys., 329(1-3), 118-125 (2006).
• Stefanie Gräfe, Philipp Marquetand und Volker Engel, Classical aspects emerging from local control of energy and particle transfer in molecules.Externer Link J. Photochem. Photobiol. A, 180(3), 271-276. (2006).
• Philipp Marquetand, Stefanie Gräfe, Daniel Scheidel und Volker Engel, Local control of the quantum dynamics in multiple potential wells.Externer Link J. Chem. Phys., 124(5), 054325-1 - 054325-7 (2006).
• Torsten Siebert, Michael Schmitt, Stefanie Gräfe und Volker Engel, Ground state vibrational wave-packet and recovery dynamics studied by time-resolved CARS and pump-CARS spectroscopy.Externer Link J. Raman Spectrosc., 37(1-3), 397 - 403 (2006).
• Stefanie Gräfe, Nicolae Tarcea, Volker Engel und S. Schlücker, Selective probing of ground state vibrational dynamics in hydrogen-bonded binary mixtures by polarization-sensitive multiplex femtosecond CARS. Asian J. Physics, 15, 179 - 186 (2006).

2005 und früher

• Dmitry Pestov, Miaochan Zhi, Zoe-Elizabeth Sariyanni, Nikolai G. Kalguin, Alaxandre A. Kolomenski, Robert Murawski, Gerhard G. Paulus, Vladimir A. Sautenkov, Hans Schuessler, Alexei V. Sokolov, George R. Welch, Yuri V. Rostovtsev, Torsten Siebert, Denis A. Akimov, Stefanie Gräfe, Wolfgang Kiefer und Marlan O. Scully, Visible and UV Coherent Raman Spectroscopy of Dipicolinic Acid.Externer Link Proc. Nat. Acad. Sc., 102(42), 14976 - 14981 (2005).
• Stefanie Gräfe und Volker Engel, On the control of resonant versus non-resonant transitions in molecular photo-dissociation.Externer Link Chem. Phys. Lett., 414(1-3), 17 - 22 (2005).
• Stefanie Gräfe, M. Erdmann und Volker Engel, Population transfer in the multi-photon excitation of molecules.Externer Link Phys. Rev. A, 72(1), 013404-1 - 013404-7 (2005).
• Stefanie Gräfe, C. Meier und Volker Engel, Instantaneous dynamics and quantum control fields: principle and numerical applications.Externer Link J. Chem. Phys., 122(18), 184103-1 - 184103-8 (2005).
• Stefanie Gräfe, Philipp Marquetand, Volker Engel, Niels E. Henriksen und Klaus B. Moller,
  Quantum control fields from instantaneous dynamics.Externer Link Chem. Phys. Lett., 398(1-3), 180 - 185 (2004).
• M. Erdmann, S. Baumann, Stefanie Gräfe und Volker Engel, Electronic predissociation: a model study.Externer Link Eur. J. Phys. D, 30(3), 327 - 333 (2004).
• Stefanie Gräfe, Daniel Scheidel, Volker Engel, Niels E. Henriksen und Klaus B. Moller,
  Approaches to wave-packet imaging using femtosecond ionization spectroscopy.Externer Link J. Phys. Chem. A, 108(41), 8954 - 8960 (2004).
• Stefanie Gräfe und Volker Engel, Indirect versus direct photoionization with ultrashort pulses: interferences and time-resolved bond-length changes.Externer Link Chem. Phys. Lett., 385(1-2), 60 - 65 (2004).
• Stefanie Gräfe, M. Erdmann und Volker Engel, Cationic molecular wave packets: Settin' the pace.Externer Link J. Chem. Phys., 116(12), 4762 - 4764 (2002).