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Stefanie Gräfe

friedrich schiller university jena

30H-index
252Paper Count
3.2KCitation Count
Published Papers 55
Publication Date
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Efficient Machine Learning Prediction of Solvent-Dependent 1 H $$ {}^1\mathrm{H} $$ NMR Chemical Shifts in Zinc Complexes
errJournal of Computational Chemistry
IF4.8
err2026-04-12
err0
errOAAI
errJyothika R. Pillay; Michael Ringleb; Alexander Croy; Stefan Zechel; Ulrich S. Schubert; Stefanie Gräfe
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Investigation of the dynamic behavior of metallopolymers by combined experimental and theoretical methods
errpolym. chem.
IF0
err2026-03-13
err0
errOAAI
errMilena Jäger; Michael Agyemang; Wanja Timm Schulze; Julian Kimmig; Thomas Bätz; Chiara Wondraczek; Stefan Zechel; Alexander Croy; Michael Schmitt; Juergen Popp; Stefanie Gräfe; Martin D. Hager; Ulrich S. Schubert
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Probing Metal Tip-Induced Bond Weakening of a Reactive Alkyne Center Aligned via a Rigid Triphenylmethane-Based Tripod on Au(111) by TERS and DFT
errJournal of Raman Spectroscopy
IF1.9
err2025-12-01
err0
errOAAI
errLi, Gang; Mennicken, Simon; Zhu, Lu-Yao; Ehtesabi, Sadaf; Reichenauer, Till; Kupfer, Stephan; Schaefer, Daniel; Mehrparvar, Saber; Haberhauer, Gebhard; Zhang, Yao; Graefe, Stefanie; Schluecker, Sebastian; Dong, Zhen-Chao
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Investigation Into the Properties of γ-Valerolactone and γ-Butyrolactone Imide-Based Electrolytes for Lithium-Ion Batteries
errBattery Energy
IF9.9
err2025-10-17
err0
errOAAI
errKhai Shin Teoh; Wanja Timm Schulze; Zihan Song; Alexander Croy; Juan Luis Gómez Urbano; Stefanie Gräfe; Andrea Balducci
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Selective Light-Driven CO2 to CO Reduction by a [FeFe]-Hydrogenase Mimic in Water
errCHEMCATCHEM
IF3.9
err2025-05-14
err0
PREAI
errAmir Abbas; Chizuru Kasahara; Yongchao Chen; Martin Oschatz; Stefanie Gräfe; Wolfgang Weigand; Andrea Pannwitz
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Towards simultaneous imaging of ultrafast nuclear and electronic dynamics in small molecules
errSCIENTIFIC REPORTS
IF3.9
err2025-03-18
err0
errOAAI
errMhatre, Saurabh; Dube, Zack; Staudte, Andre; Graefe, Stefanie; Kuebel, Matthias
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Nonclassical light generation and control from laser-driven semiconductor intraband excitations
errPHYSICAL REVIEW B
IF3.7
err2024-03-07
err10
errOAAI
errGonoskov, Ivan; Sondenheimer, Rene; Huenecke, Christian; Kartashov, Daniil; Peschel, Ulf; Graefe, Stefanie
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Mechanism of Plasmon-Induced Catalysis of Thiolates and the Impact of Reaction Conditions
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-01-26
err5
errOAAI
errYao, Xiaobin; Ehtesabi, Sadaf; Hoeppener, Christiane; Deckert-Gaudig, Tanja; Schneidewind, Henrik; Kupfer, Stephan; Graefe, Stefanie; Deckert, Volker
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Tailoring phosphine ligands for improved C-H activation: insights from Δ-machine learning
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err0
errOAAI
errHuang, Tianbai; Geitner, Robert; Croy, Alexander; Graefe, Stefanie
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Assessing plasmon-induced reactions by a combined quantum chemical-quantum/classical hybrid approach
errNANOSCALE
IF5.1
err2024-01-01
err0
errOAAI
errEhtesabi, Sadaf; Richter, Martin; Kupfer, Stephan; Graefe, Stefanie
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Role of Plasmonic Antenna in Hot Carrier-Driven Reactions on Bimetallic Nanostructures
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-11-09
err5
errOAAI
errLi, Zhandong; Rigor, Joel; Ehtesabi, Sadaf; Gojare, Siddhi; Kupfer, Stephan; Graefe, Stefanie; Large, Nicolas; Kurouski, Dmitry
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Theoretical insights into the spectroscopic properties of ferrocenyl hetaryl ketones
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2023-08-01
err1
PREAI
errSeidenath, Sebastian; Seeber, Phillip; Kupfer, Stephan; Graefe, Stefanie; Weigand, Wolfgang; Mloston, Grzegorz; Matczak, Piotr
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The contribution of Compton ionization to ultrafast x-ray scattering
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-26
err3
errOAAI
errZiems, Karl Michael; Simmermacher, Mats; Graefe, Stefanie; Kirrander, Adam
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A Full Quantum Mechanical Approach Assessing the Chemical and Electromagnetic Effect in TERS
errACS NANO
IF16
err2023-07-10
err12
errOAAI
errFiederling, Kevin; Abasifard, Mostafa; Richter, Martin; Deckert, Volker; Kupfer, Stephan; Graefe, Stefanie
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Resonance Effect in Brunel Harmonic Generation in Thin Film Organic Semiconductors
errADVANCED OPTICAL MATERIALS
IF7.2
err2023-05-21
err3
errOAAI
errLi, Weiwei; Saleh, Ahmad; Sharma, Manas; Huenecke, Christian; Sierka, Marek; Neuhaus, Marcel; Hedewig, Lina; Bergues, Boris; Alharbi, Meshaal; ALQahtani, Hadi; Azzeer, Abdallah M.; Graefe, Stefanie; Kling, Matthias F.; Alharbi, Abdullah F.; Wang, Zilong
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Bond formation insights into the Diels-Alder reaction: A bond perception and self-interaction perspective
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-24
err5
errOAAI
errSchulze, Wanja Timm; Schwalbe, Sebastian; Trepte, Kai; Croy, Alexander; Kortus, Jens; Graefe, Stefanie
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Growing Spicy ONIOMs: Extending and generalizing concepts of ONIOM and many body expansions
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2022-11-22
err14
errOAAI
errSeeber, Phillip; Seidenath, Sebastian; Steinmetzer, Johannes; Graefe, Stefanie
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Photophysics of Anionic Bis(4H-imidazolato)CuI Complexes
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2022-10-31
err0
errOAAI
errSeidler, Bianca; Tran, Jens H.; Hniopek, Julian; Traber, Philipp; Gorls, Helmar; Grafe, Stefanie; Schmitt, Michael; Popp, Jurgen; Schulz, Martin; Dietzek-Ivansic, Benjamin
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Bidentate Rh(I)-Phosphine Complexes for the C-H Activation of Alkanes: Computational Modelling and Mechanistic Insight
errCHEMCATCHEM
IF3.9
err2022-08-18
err2
PREAI
errHuang, Tianbai; Kupfer, Stephan; Richter, Martin; Graefe, Stefanie; Geitner, Robert
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errSave
Nuclear-Electron Correlation Effects and Their Photoelectron Imprint in Molecular XUV Ionisation
errFRONTIERS IN CHEMISTRY
IF4.2
err2022-08-05
err2
errOAAI
errZiems, Karl Michael; Bruhnke, Jakob; Engel, Volker; Graefe, Stefanie
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Research Directions

No research directions
Co-authors
Cooperation Journals
U
Ulrich S. Schubert
H-index: 138 · Papers: 2.3K
B
Bert M. Weckhuysen
H-index: 134 · Papers: 1.2K
M
Maciej Lewenstein
H-index: 116 · Papers: 1.1K
F
F. Javier Garcı́a de Abajo
H-index: 108 · Papers: 911
J
Jürgen Popp
H-index: 95 · Papers: 1.5K
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