2024 Publications of the
Molecular Physics Department

2025 | 2024 | 2023 | 2022

Journal Article (56)

2024
Journal Article
Bechtella, L., J. Chunsheng, K. Fentker, G.R. Ertürk, M. Safferthal, L. Polewski, M. Götze, S.Y. Graeber, G.M. Vos, W.B. Struwe, M.A. Mall, P. Mertins, N.G. Karlsson and K. Pagel: Ion mobility-tandem mass spectrometry of mucin-type O-glycans. Nature Communications 15, 2611 (2024).
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Bloß, D., F. Trinter, I. Unger, C. Zindel, C. Honisch, J. Viehmann, N. Kiefer, L. Marder, C. Küstner-Wetekam, E. Heikura, L.S. Cederbaum, O. Björneholm, U. Hergenhahn, A. Ehresmann and A. Hans: X-ray radiation damage cycle of solvated inorganic ions. Nature Communications 15, 4594 (2024).
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Buttersack, T., I. Gladich, S. Gholami, C. Richter, R. Dupuy, C. Nicolas, F. Trinter, A. Trunschke, D. Delgado Muñoz, P.C. Arroyo, E.A. Parmentier, B. Winter, L. Iezzi, A. Roose, A. Boucly, L. Artiglia, M. Ammann, R. Signorell and H. Bluhm: Direct observation of the complex S(IV) equilibria at the liquid-vapor interface. Nature Communications 15, 8987 (2024).
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Chang, C.-W., K. Greis, G.R.D. Prabhu, D. Wehner, C. Kirschbaum, K. Ober, A.Y. Torres-Boy, S. Leichnitz, G. Meijer, G.von Helden, P.H. Seeberger and K. Pagel: Mechanistic insight into benzylidene-directed glycosylation reactions using cryogenic infrared spectroscopy. Nature Synthesis 3, 1377–1384 (2024).
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Credidio, B., S. Thürmer, D. Stemer, M. Pugini, F. Trinter, J. Vokrouhlický, P. Slavíček and B. Winter: From Gas to Solution: The Changing Neutral Structure of Proline upon Solvation. The Journal of Physical Chemistry A 128 (47), 10202–10212 (2024).
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Dupuy, R., T. Buttersack, F. Trinter, C. Richter, S. Gholami, O. Björneholm, U. Hergenhahn, B. Winter and H. Bluhm: The solvation shell probed by resonant intermolecular Coulombic decay. Nature Communications 15, 6929 (2024).
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Hans, A., N. Kiefer, L. Marder, C. Küstner-Wetekam, E. Heikura, N. Golchert, J.H. Viehmann, D. Cubaynes, I. Ismail, F. Trinter, P. Lablanquie, J. Palaudoux, A. Ehresmann and F. Penent: Experimental Realization of Auger Decay in the Field of a Positive Elementary Charge. Physical Review Letters 132 (20), 203002 (2024).
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He, L., M. Johny, T. Kierspel, K. Długołęcki, S. Bari, R. Boll, H. Bromberger, M. Coreno, A. De Fanis, M. Di Fraia, B. Erk, M. Gisselbrecht, P. Grychtol, P. Eng-Johnsson, T. Mazza, J. Onvlee, Y. Ovcharenko, J. Petrovic, N. Rennhack, D.E. Rivas, A. Rudenko, E. Rühl, L. Schwob, M. Simon, F. Trinter, S. Usenko, J. Wiese, M. Meyer, S. Trippel and J. Küpper: Controlled molecule injector for cold, dense, and pure molecular beams at the European x-ray free-electron laser. Review of Scientific Instruments 95 (11), 113301 (2024).
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Ibrahim, M.A.E., X. Liu and J. Pérez-Ríos: Spectroscopic constants from atomic properties: a machine learning approach. Digital Discovery 3 (1), 34–50 (2024).
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Ismail, I., L. Inhester, T. Marchenko, F. Trinter, A. Verma, A. De Fanis, A. Ferte, D.E. Rivas, D. Peng, D. Koulentianos, E. Kukk, F. Penent, G. Doumy, G. Sansone, J.D. Bozek, K. Li, L. Young, M. Ilchen, M.N. Piancastelli, M. Meyer, N. Velasquez, O. Travnikova, R. Boll, R. Guillemin, R. Dorner, R. Taieb, S. Dold, S. Carniato, T.M. Baumann, T. Mazza, Y. Ovcharenko, R. Puttner and M. Simon: Ultrafast nuclear dynamics in double-core-ionized water molecules. Physical Review A 110 (1), 013108 (2024).
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Jara-Toro, R.A., M.I. Taccone, J. Dezalay, J.A. Noble, G.von Helden and G.A. Pino: Observation of a core-excited dipole-bound state ∼1 eV above the electron detachment threshold in cryogenically cooled acetylacetonate. The Journal of Chemical Physics 161 (8), 084305 (2024).
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Kim, L.Y., D.W. Kang, J.C. Lee, E. Chae, W. Schöllkopf and B.S. Zhao: Comprehensive peak-width analysis in matter-wave diffraction under grazing incidence conditions. Physical Review A 110 (1), 013313 (2024).
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Kim, L.Y., D.W. Kang, S. Park, S. Lim, J. Kim, W. Schöllkopf and B.S. Zhao: Diffractive mirrors for neutral-atom matter-wave optics. Faraday Discussions 251, 160–170 (2024).
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Kirschbaum, C., K. Greis, S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden, K. Pagel and L.H. Urner: Structure and Conformation Determine Gas-Phase Infrared Spectra of Detergents. ChemPlusChem 89 (10), e202400340 (2024).
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Kirschbaum, C., K. Greis, A.Y. Torres-Boy, J. Riedel, S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden and K. Pagel: Studying the Intrinsic Reactivity of Chromanes by Gas-Phase Infrared Spectroscopy. Journal of the American Society for Mass Spectrometry 35 (8), 1950–1958 (2024).
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Kontodimas, V., M. Yaman, K. Greis, M. Lettow, K. Pagel and M. Marianski: Reinvestigation of the internal glycan rearrangement of Lewis a and blood group type H1 epitopes. Physical Chemistry Chemical Physics 26 (19), 14160–14170 (2024).
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Kukk, E., J. Niskanen, O. Travnikova, M. Berholts, K. Kooser, D. Peng, I. Ismail, M.N. Piancastelli, R. Püttner, U. Hergenhahn and M. Simon: Orientational anisotropy due to molecular field splitting in sulfur 2p photoemission from CS2 and SF6 - theoretical treatment and application to photoelectron recoil. Physical Chemistry Chemical Physics 26 (32), 21810–21820 (2024).
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Kuraoka, T., S. Goto, M. Kanno, S. Díaz-Tendero, J. Reino-González, F. Trinter, A. Pier, L. Sommerlad, N. Melzer, O.D. McGinnis, J. Kruse, T. Wenzel, T. Jahnke, H. Xue, N. Kishimoto, K. Yoshikawa, Y. Tamura, F. Ota, K. Hatada, K. Ueda and F. Martín: Tracing Photoinduced Hydrogen Migration in Alcohol Dications from Time-Resolved Molecular-Frame Photoelectron Angular Distributions. The Journal of Physical Chemistry A 128 (7), 1241–1249 (2024).
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Langen, T., G. Valtolina, D. Wang and J. Ye: Quantum state manipulation and cooling of ultracold molecules. Nature Physics 20 (5), 702–712 (2024).
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Lee, J.H., E. Abdiha, B.G. Sartakov, G. Meijer and S. Eibenberger Arias: Near-complete chiral selection in rotational quantum states. Nature Communications 15, 7441 (2024).
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Lee, J.H., J. Bischoff, A.O. Hernandez-Castillo, E. Abdiha, B.G. Sartakov, G. Meijer and S. Eibenberger: The influence of microwave pulse conditions on enantiomer-specific state transfer. New Journal of Physics 26 (3), 033015 (2024).
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Meijer, G. and G.von Helden: Metal Monoxide Abundances as a Function of the C/O Ratio. ACS Earth and Space Chemistry 8 (9), 1690–1692 (2024).
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Melzer, N., M. Kircher, A. Pier, L. Kaiser, J. Kruse, N. Anders, J. Stindl, L. Sommerlad, D. McGinnis, M. Schmidt, L. Nowak, A. Kügler, I. Dwojak, J. Drnec, F. Trinter, M.S. Schöffler, L.P.H. Schmidt, N.M. Novikovskiy, P.V. Demekhin, T. Jahnke and R. Dörner: Role of the Coulomb Potential in Compton Scattering. Physical Review Letters 133 (18), 183002 (2024).
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Möller, J., A. Schottelius, M. Caresana, U. Boesenberg, C. Kim, F. Dallari, T.A. Ezquerra, J.M. Fernández, L. Gelisio, A. Glaesener, C. Goy, J. Hallmann, A. Kalinin, R.P. Kurta, D. Lapkin, F. Lehmkühler, F. Mambretti, M. Scholz, R. Shayduk, F. Trinter, I.A. Vartaniants, A. Zozulya, D.E. Galli, G. Grübel, A. Madsen, F. Caupin and R.E. Grisenti: Crystal Nucleation in Supercooled Atomic Liquids. Physical Review Letters 132 (20), 206102 (2024).
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Muchová, E., G. Gopakumar, I. Unger, G. Öhrwall, D. Céolin, F. Trinter, I. Wilkinson, E. Chatzigeorgiou, P. Slavíček, U. Hergenhahn, B. Winter, C. Caleman and O. Björneholm: Attosecond formation of charge-transfer-to-solvent states of aqueous ions probed using the core-hole-clock technique. Nature Communications 15 (1), 8903 (2024).
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Mudryk, K., C. Lee, L. Tomanik, S. Malerz, F. Trinter, U. Hergenhahn, D.M. Neumark, P. Slavíček, S. Bradforth and B. Winter: How Does Mg2+(aq) Interact with ATP(aq)? Biomolecular Structure through the Lens of Liquid-Jet Photoemission Spectroscopy. Journal of the American Chemical Society 146 (23), 16062–16075 (2024).
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Müller, A., P.M. Hillenbrand, S.X. Wang, S. Schippers, E. Lindroth, F. Trinter, J. Seltmann, S. Reinwardt, M. Martins, A.S. Kheifets and I. Bray: Double-K-hole resonances in single photoionization of He-like B3+ ions. Physical Review A 110 (6), 062802 (2024).
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Nemirovich, T., B. Young, K. Brezina, P.E. Mason, R. Seidel, D. Stemer, B. Winter, P. Jungwirth, S.E. Bradforth and H.C. Schewe: Stability and Reactivity of Aromatic Radical Anions in Solution with Relevance to Birch Reduction. Journal of the American Chemical Society 146 (12), 8043–8057 (2024).
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Ohayon, B., J.E. Padilla-Castillo, S. Wright, G. Meijer and B.K. Sahoo: Reconciling mean-squared radius differences in the silver chain through improved measurement and ab initio calculations. Physical Review Research 6 (3), 033040 (2024).
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Pérez-Ríos, J.: Statistical adiabatic channel model for termolecular reactions. The Journal of Chemical Physics 161 (14), 144305 (2024).
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Ploenes, L., P. Straňák, A. Mishra, X. Liu, J. Pérez-Ríos and S. Willitsch: Collisional alignment and molecular rotation control chemi-ionization of individual conformers of hydroquinone with metastable neon. Nature Chemistry 16, 1876–1881 (2024).
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Polewski, L., E. Moon, A. Zappe, M. Götze, G.P. Szekeres, C. Roth and K. Pagel: Ion Mobility Mass Spectrometry-Based Disaccharide Analysis of Glycosaminoglycans. Chemistry – A European Journal 30 (35), e202400783 (2024).
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Popa, S., S. Schaller, A. Fielicke, J. Lim, B.G. Sartakov, M.R. Tarbutt and G. Meijer: Understanding Inner-Shell Excitations in Molecules through Spectroscopy of the 4f Hole States of YbF. Physical Review X 14 (2), 021035 (2024).
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Rahaman, B., S. Wright and S. Dutta: Observation of quantum interference of optical transition pathways in Doppler-free two-photon spectroscopy and implications for precision measurements. Physical Review A 109 (4), 042820 (2024).
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Reinwardt, S., P. Cieslik, T. Buhr, A. Perry-Sassmannshausen, S. Schippers, A. Müller, F. Trinter and M. Martins: Isomer-specific photofragmentation of C3H3+ at the carbon K-edge. Physical Chemistry Chemical Physics 26 (21), 15519–15529 (2024).
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Rezvan, D.V., A. Pier, S. Grundmann, N.M. Novikovskiy, N. Anders, M. Kircher, N. Melzer, F. Trinter, M.S. Schöffler, T. Jahnke, R. Dörner and P.V. Demekhin: Nondipolar photoelectron angular distributions from fixed-in-space N2 molecules. Journal of Physics B 57 (14), 145101 (2024).
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Richter, C., R. Dupuy, F. Trinter, T. Buttersack, L. Cablitz, S. Gholami, D. Stemer, C. Nicolas, R. Seidel, B. Winter and H. Bluhm: Surface accumulation and acid-base equilibrium of phenol at the liquid-vapor interface. Physical Chemistry Chemical Physics 26 (43), 27292–27300 (2024).
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Röser, D., E. Padilla, B. Ohayon, R. Thomas, S. Truppe, G. Meijer, S. Stellmer and S. Wright: Hyperfine structure and isotope shifts of the (4s2)1S0→(4s4p)1P1 transition in atomic zinc. Physical Review A 109 (1), 012806 (2024).
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Safferthal, M., L. Bechtella, A. Zappe, G.M. Vos and K. Pagel: Labeling of Mucin-Type O-Glycans for Quantification Using Liquid Chromatography and Fluorescence Detection. ACS Measurement Science Au 4 (2), 223–240 (2024).
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Safferthal, M., K. Greis, R. Chang, C.-W. Chang, W. Hoffmann, G. Meijer, G.von Helden and K. Pagel: The impact of side-chain fluorination on proton-bound phenylalanine dimers: a cryogenic infrared spectroscopic study. Physical Chemistry Chemical Physics 26 (44), 28155–28160 (2024).
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Schaller, S., S. Gewinner, W. Schöllkopf, G. Meijer and A. Fielicke: Gas-phase vibrational spectroscopy of the dysprosium monoxide molecule and its cation. Physical Chemistry Chemical Physics 26 (32), 21620–21627 (2024).
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Schaller, S., J. Seifert, G. Valtolina, A. Fielicke, B.G. Sartakov and G. Meijer: Cold Molecular Ions via Autoionization below the Dissociation Limit. Physical Review Letters 133 (17), 173403 (2024).
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Schmahl, S., F. Horn, J. Jin, H. Westphal, D. Belder and K.R. Asmis: Online-Monitoring of the Enantiomeric Ratio in Microfluidic Chip Reactors Using Chiral Selector Ion Vibrational Spectroscopy. ChemPhysChem 25 (10), e202300975 (2024).
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Schmidt, M., N. Melzer, M. Kircher, G. Kastirke, A. Pier, L. Kaiser, P. Daum, D. Tsitsonis, M. Astaschov, J. Rist, N. Anders, P. Roth, K. Lin, J. Drnec, F. Trinter, M.S. Schöffler, L.P.H. Schmidt, N.M. Novikovskiy, P.V. Demekhin, T. Jahnke and R. Dörner: Role of the Binding Energy on Nondipole Effects in Single-Photon Ionization. Physical Review Letters 132 (23), 233002 (2024).
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Singh, R., P.J. Claes, A. Fielicke, E. Janssens, P. Lievens and J.E. McGrady: Pathways of cluster growth: infra-red multi-photon dissociation spectroscopy of a series of Re-Si clusters, [ReSin]+, n = 3-9. Physical Chemistry Chemical Physics 26 (34), 22611–22619 (2024).
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Szekeres, G.P., D.P. Dyer, R.L. Miller and K. Pagel: Chemokine Oligomers and the Impact of Fondaparinux Binding. Journal of the American Society for Mass Spectrometry 35 (7), 1550–1555 (2024).
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Tomanik, L., M. Pugini, K. Mudryk, S. Thürmer, D. Stemer, B. Credidio, F. Trinter, B. Winter and P. Slavicek: Liquid-jet photoemission spectroscopy as a structural tool: site-specific acid-base chemistry of vitamin C. Physical Chemistry Chemical Physics 26 (29), 19673–19684 (2024).
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Torres-Boy, A.Y., M. Taccone, C. Kirschbaum, K. Ober, T. Stein, G. Meijer and G.von Helden: Investigation of the Proton-Bound Dimer of Dihydrogen Phosphate and Formate Using Infrared Spectroscopy in Helium Droplets. The Journal of Physical Chemistry A 128 (22), 4456–4466 (2024).
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Travnikova, O., V. Kimberg, B. Cunha de Miranda, F. Trinter, M.S. Schöffler, S. Carniato, T. Marchenko, R. Guillemin, I. Ismail, G. Kastirke, M.N. Piancastelli, T. Jahnke, R. Dörner and M. Simon: X-ray-Induced Molecular Catapult: Ultrafast Dynamics Driven by Lightweight Linkages. The Journal of Physical Chemistry Letters 15 (47), 11883–11890 (2024).
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Trinter, F., L. Inhester, R. Püttner, S. Malerz, S. Thürmer, T. Marchenko, M.N. Piancastelli, M. Simon, B. Winter and U. Hergenhahn: Radiationless decay spectrum of O 1s double core holes in liquid water. The Journal of Chemical Physics 160 (19), 194503 (2024).
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Tsitsonis, D., F. Trinter, J.B. Williams, K. Fehre, P.V. Demekhin, T. Jahnke, R. Dörner and M.S. Schöffler: Enantioselective One-Photon Excitation of Formic Acid. Physical Review Letters 133 (9), 093002 (2024).
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Türk, H., X.Q. Tran, P. König, A. Hammud, V. Vibhu, F. Schmidt, D. Berger, S. Selve, V. Roddatis, D. Abou-Ras, F. Girgsdies, Y.-T. Chan, T. Götsch, H. Ali, I.C. Vinke, L.G.J.(B. de Haart, M. Lehmann, A. Knop-Gericke, K. Reuter, R.-A. Eichel, C. Scheurer and T. Lunkenbein: Boon and Bane of Local Solid State Chemistry on the Performance of LSM-Based Solid Oxide Electrolysis Cells. Advanced Energy Materials 15 (16), 2405599 (2024).
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Walter, N., M. Doppelbauer, S. Schaller, X. Liu, R. Thomas, S. Wright, B.G. Sartakov and G. Meijer: Triplet Rydberg States of Aluminum Monofluoride. The Journal of Physical Chemistry A 128 (14), 2752–2762 (2024).
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Wang, W., X. Liu and J. Pérez-Rios: AlF-AlF Reaction Dynamics between 200 K and 1000 K: Reaction Mechanisms and Intermediate Complex Characterization. Molecules 29 (1), 222 (2024).
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Wang, Y., M. Mirahmadi and J. Pérez-Ríos: On the role of non-additive interactions in three-body recombination. Physical Chemistry Chemical Physics 26 (9), 7264–7268 (2024).
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Yoshikawa, K., M. Kanno, H. Xue, N. Kishimoto, S. Goto, F. Ota, Y. Tamura, F. Trinter, K. Fehre, L. Kaiser, J. Stindl, D. Tsitsonis, M. Schöffler, R. Dörner, R. Boll, B. Erk, T. Mazza, T. Mullins, D.E. Rivas, P. Schmidt, S. Usenko, M. Meyer, E. Wang, D. Rolles, A. Rudenko, E. Kukk, T. Jahnke, S. Díaz-Tendero, F. Martín, K. Hatada and K. Ueda: Time-resolved photoelectron diffraction imaging of methanol photodissociation involving molecular hydrogen ejection. Physical Chemistry Chemical Physics 26 (38), 25118–25130 (2024).
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Book Chapter (1)

2024
Book Chapter
Safferthal, M., L. Polewski, C.W. Chang, K. Greis and K. Pagel: Cold-ion Spectroscopy of Carbohydrates. In: New Developments in Mass Spectrometry. (Ed.): W.B. Struwe. RSC, Cambridge, England, 76–94 (2024).
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Thesis - PhD (2)

2024
Thesis - PhD
Lee, J.H.: Quantum-State Control of Chiral Molecules Using Microwave and Ultraviolet Radiation. Radboud University Nijmegen
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Thesis - PhD
Liu, X.: Machine learning and reaction dynamics: From spectroscopic constants of diatomic molecules to buffer gas chemistry. Freie Universität Berlin
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Thesis - Master (1)

2024
Thesis - Master
Yadav, S.: High-resolution UV spectroscopy of 1-phenylethanol. Freie Universität Berlin
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