Teilbibliothek Naturwissenschaften: Chemie

Publikationen

Veröffentlichungen der AG Gräfe

Teilbibliothek Naturwissenschaften: Chemie

Foto: Jan-Peter Kasper (Universität Jena)

Referierte Publikationen

2022

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 Mimics. Eur. J. Inorg. Chem., (2022), doi:10.1002/ejic.202100959

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 Backbone, J. Phys. Chem. B , 125 (41), 11498, (2021), DOI: 10.1021/acs.jpcb.1c06902
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 Catalysts. Chem. Eur. J., 27, 16871, (2021), doi:10.1002/chem.202102905
Miftahussurur Hamidi Putra, Sebastian Seidenath, Stephan Kupfer, Stefanie Gräfe, Axel Groß: Coupling of photoactive transition metal complexes to a functional polymer matrix, Chem. Eur. J., 27, 17104, (2021), doi:10.1002/chem.202102776
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 Spectroscopy, ACS Photonics, 8(8), 2243, (2021), 10.1021/acsphotonics.1c00001
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 Heterostructures, App. Phys. Rev., 8(3), 031410, (2021), DOI: 10.1063/5.0040442
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 Pulses, Phys. Rev. Lett. 127, 043202 (2021), 10.1103/PhysRevLett.127.043202
Ivan Gonoskov und Stefanie Gräfe: Light–matter quantum dynamics of complex laser-driven systems, J. Chem. Phys. 154, 234106 (2021), 10.1063/5.0048930
A. Sanchez, K. Amini, SJ Wang et al. Molecular structure retrieval directly from laboratory-frame photoelectron spectra in laser-induced electron diffraction. Nat Commun 12, 1520 (2021). 10.1038/s41467-021-21855-4
K. Fiederling, S. Kupfer und S. Gräfe: Are charged tips driving TERS-resolution? A full quantum chemical approach, J. Chem. Phys. 154, 034106 (2021), 10.1063/5.0031763
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 Gratings, ACS Nano, (2021), 10.1021/acsnano.0c07198
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 Mechanism, Ang. Chem., (2020), 10.1002/anie.202011152
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 ammonia, Structural Dynamics 8, 014301 (2021), 10.1063/4.0000046
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 modelling, Catal. Sci. Technol., (2021), 10.1039/D0CY02267E
Johannes Steinmetzer, Stephan Kupfer und Stefanie Gräfe: pysisyphus: Exploring potential energy surfaces in ground and excited states, Int J. Quantum Chem., (2020), 10.1002/qua.26390

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 approach, J. Phys. B: At. Mol. Opt. Phys., 53, 234001, (2020), doi: 10.1088/1361-6455/abb2d9
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 Mechanism, Angew. Chem. Int. Ed.. Accepted Author Manuscript.doi:10.1002/anie.202011152
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)–4H-imidazolate Complexes: A Spectroscopic and Theoretical Study, J. Phys. Chem. A (2020), 124(33), 6607–6616, 10.1021/acs.jpca.0c04351
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 Intermediate, Chem. Eur. J., (2020), 10.1002/chem.202001412
F Oppermann, P Wustelt, T Florin, S Mhatre, S Gräfe, G G Paulus und M Lein: Dissociation and ionization of HeH+in sub-cycle-controlled intense two-color fields, J. Phys. B: At. Mol. Opt. Phys., 53(17), 174001, DOI: 10.1088/1361-6455/ab9a93
Friedrich Fröbel, Karl Michael Ziems, Ulf Peschel, Stefanie Gräfe und Alexander Schubert: The impact of electron–electron correlation in ultrafast attosecond single ionization dynamics, J. Phys. B: At. Mol. Opt. Phys., 53(14), 144005, (2020), DOI: 10.1088/1361-6455/ab8c21
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 TERS, Nanoscale (2020), 10.1039/C9NR09814C

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 Linkers, Chem. Eur. J. (2019), 10.1002/chem.201903582
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, Angew. Chem. Int. Ed., (2019); 10.1002/anie.201907247
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 packet,
J. Chem. Phys. 151, 024306 (2019); 10.1063/1.5100520
Matthias Paul und Stefanie Gräfe. Strong-field ionization dynamics of asymmetric equilateral triatomic model molecules in circularly polarized laser fields, Phys. Rev. A 99(5), 053414, (2009), 10.1103/PhysRevA.99.053414
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 response, Polyhedron, in press, (2019), 10.1016/j.poly.2019.04.031
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 diffraction, PNAS 116 (17) 8173-8177 (2019), 10.1073/pnas.1817465116.

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.
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.
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.
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.
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 HeH⁺ by Intense Ultrashort Laser Pulses. 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 Labeling. 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 Molecules
Phys. Rev. Lett. 120, 233202, (2018), 10.1103/PhysRevLett.120.233202.
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 ligand
Chem. Sci., 2018,9, 4152-4159, 10.1039/C7SC04348A.
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 Analysis
J. Phys. Chem. A, 2018, 122 (10), pp 2677–2687, 10.1021/acs.jpca.7b12648.
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 ³MC States,
J. Phys. Chem. A, 2018, 122 (6), pp 1550–1559, 10.1021/acs.jpca.7b11470
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 Dynamics,
J. Phys. Chem. C, 2018, 122 (6), pp 3273–3285, 10.1021/acs.jpcc.7b12190.
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 Complex,
J. Phys. Chem. C, 2018, 122 (1), pp 83–95, 10.1021/acs.jpcc.7b08989.

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. 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.
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. J. Phys. Chem. C, 10.1021/acs.jpcc.7b02812 (2017).
Wolfgang Weigand, Hassan Abul-Futouh, Yulian Zagranyarski, Carolin Müller, Martin Schulz, Stephan Kupfer, Helmar Görls, Mohammad Yaseen El-khateeb, Stefanie Gräfe, Benjamin Dietzek und Kalina Peneva, [FeFe]-Hydrogenase H-Cluster Mimics Mediated by Naphthalene Monoimide Derivatives of Peri-Substituted Dichalcogenides. 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. 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. 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. 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. 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.
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. 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. 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. 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. 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 C₆₀-fullerene and anthracene unveiled by Raman and two-dimensional correlation spectroscopy. 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. 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. 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 F 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. 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 Ga^III, In^III and Lu^III Complexes of a Set of dtpa Bis-Amide Ligands.
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. 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.
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. 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. 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. 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. 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. 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 H₂⁺ by intense circularly polarized laser fields. 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. 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. 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. 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 H₂. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. J. Raman Spectrosc. , 38(8), 998-1005 (2007).

2006

Stefanie Gräfe und Volker Engel, Local control theory applied to coupled electronic and nuclear motion. 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. 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. 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. 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. 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. 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. 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. 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. Chem. Phys. Lett., 398(1-3), 180 - 185 (2004).
M. Erdmann, S. Baumann, Stefanie Gräfe und Volker Engel, Electronic predissociation: a model study. 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. 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. Chem. Phys. Lett., 385(1-2), 60 - 65 (2004).
Stefanie Gräfe, M. Erdmann und Volker Engel, Cationic molecular wave packets: Settin' the pace. J. Chem. Phys., 116(12), 4762 - 4764 (2002).

Bücher und Buchkapitel

Markus Kitzler und Stefanie Gräfe (Eds.),
Ultrafast Dynamics Driven by Intense Light Pulses.
Springer Series on Atomic, Optical, and Plasma Physics, 978-3-319-20173-3 (2016).
Dirk Bender, Leticia González und Stefanie Gräfe,
Short Introduction to Atomic and Molecular Configuration.
in: Handbook of Biophotonics, J. Popp, V. V. Tuchin, A. Chiou, S. Heinemann (Eds.), Wiley-VCH Weinheim, Vol. 1(Basics and Techniques), 39-86 (2011).