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2021-present
2021-present
2021-present

2024

251. P. Das, G. Chakraborty, J. Yang, J. Roeser, H. Kücükkececi, A. D. Nguyen, M. Schwarze, J. Gabriel, C. Penschke, S. Du, V. Weigelt, I. E. Khalil, J. Schmidt, P. Saalfrank, M. Oschatz, J. Rabeah, R. Schomäcker, F. Emmerling, and A. Thomas: The Effect of Pore Functionality in Multicomponent Covalent Organic Frameworks on Stable Long-term Photocatalytic H2 Production, Nat. Commun. doi.org/10.26434/chemrxiv-2024-t696j
250. F. Lever, D. Mayer, D. Picconi, S. Alisauskas, F. Calegari, S. Düsterer, C. Ehlert, R. Feifel, M. Kuhlmann, T. Mazza, J. Metje, M. Robinson, R. Squibb, A. Trabattoni, M. Ware, P. Saalfrank, T. Wolf, and M. Gühr: Direct Observation of to n Transition in 2-Thiouracil via Time Resolved NEXAFS Spectroscopy, J. Phys. Chem. Lett. (submitted).
249. E. W. Fischer and P. Saalfrank: A Theoretical Chemistry Approach to Vibro-Polaritonic Chemistry with Application to Infrared Spectroscopy and Reaction Kinetics, Chem. Modell. 18, 137160 (2024). doi.org/10.1039/9781837672554-00137
248. S. Sinha, B. Mladineo, I. Loncaric, and P. Saalfrank: Multidimensional Neural Network Interatomic Potentials for CO on NaCl(100), J. Phys. Chem. C 128, 22117-21131 (2024). doi.org/10.26434/chemrxiv-2024-nxd7d
247. D. Mayer, D. Picconi, M. Handrich, F. Lever, L. Mehner, M. L. Murillo-Sanchez, C. Walz, E. Titov, J. Bozek, P. Saalfrank, and M. Gühr: X-Ray Photoelectron and NEXAFS Spectroscopy of Thionated Uracils in the Gas Phase, J. Chem. Phys. 161, 134301 1-14 (2024). doi.org/10.1063/5.0226983
246. B. Roy, E. Titov, and P. Saalfrank: Nonadiabatic Photodynamics of of Amantadine and Cyanoadamantane Cations, ChemPhysChem. 25, e202400331 1-10 (2024). doi.org/10.1002/cphc.202400331
245. F. Gottwald, C. Penschke, and P. Saalfrank: Water Splitting at Imine-Linked Covalent Organic Frameworks, Phys. Chem. Chem. Phys. 32, 21821-21831 (2024). doi.org/10.1039/D4CP02019G
244. D. Ojha, C. Penschke, and P. Saalfrank: Vibrational Dynamics and Spectroscopy of Water at Porous C3N4 and C2N Materials, Phys. Chem. Chem. Phys., 25, 13442-13451 (2024). doi.org/10.1039/D3CP05964B.
243. E. Mazarei and P. Saalfrank: Tuning properties of layered materials based on hexagonal boron nitride by methylation: A density functional theory study, ChemPhysChem, Mar 22:e202300882. (2024). Online ahead of print. doi.org/10.1002/cphc.202300882.
242. E. W. Fischer, J. A. Syska, and P. Saalfrank: A Quantum Chemistry Approach to Linear Vibro-polaritonic IR Spectra with Perturbative Electron-photon Correlation, J. Phys. Chem. Lett. 15, 2262-2269 (2024). doi.org/10.1021/acs.jpclett.4c00105
241. A. R. Ramos Ramos, E. W. Fischer, P. Saalfrank, and O. Kühn: Shaping the Laser Control Landscape of a Hydrogen Transfer Reaction by Vibrational Strong Coupling. A Direct Optimal Control Approach, J. Chem. Phys. 160, 074101-1-9 (2024). doi.org/10.1063/5.0193502

2023

2022

2021