Klaus B. Møller
Affiliations: | Department of Chemistry | DTU - Technical University of Denmark |
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Sign in to add trainee| Gianluca Levi | grad student | 2018 | DTU - Technical University of Denmark |
| Mats Simmermacher | grad student | 2015-2018 | Technical University of Denmark |
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| Vester P, Kubicek K, Alonso-Mori R, et al. (2022) Tracking structural solvent reorganization and recombination dynamics following e photoabstraction from aqueous I with femtosecond x-ray spectroscopy and scattering. The Journal of Chemical Physics. 157: 224201 |
| Zederkof DB, Møller KB, Nielsen MM, et al. (2022) Resolving Femtosecond Solvent Reorganization Dynamics in an Iron Complex by Nonadiabatic Dynamics Simulations. Journal of the American Chemical Society |
| Voute A, Gatti F, Møller KB, et al. (2021) Femtochemistry of bimolecular reactions from weakly bound complexes: computational study of the H + H'OD → H'OH + D or HOD + H' exchange reactions. Physical Chemistry Chemical Physics : Pccp. 23: 27207-27226 |
| Scutelnic V, Tsuru S, Pápai M, et al. (2021) X-ray transient absorption reveals the A (nπ*) state of pyrazine in electronic relaxation. Nature Communications. 12: 5003 |
| Pápai M, Li X, Nielsen MM, et al. (2021) Trajectory surface-hopping photoinduced dynamics from Rydberg states of trimethylamine. Physical Chemistry Chemical Physics : Pccp |
| Tsuru S, Vidal ML, Pápai M, et al. (2021) An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy. Structural Dynamics (Melville, N.Y.). 8: 024101 |
| Biasin E, van Driel TB, Kjer KS, et al. (2020) Publisher's Note: Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated [Co(terpy)_{2}]^{2+} [Phys. Rev. Lett. 117, 013002 (2016)]. Physical Review Letters. 124: 199902 |
| Kunnus K, Vacher M, Harlang TCB, et al. (2020) Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering. Nature Communications. 11: 634 |
| Tatsuno H, Kjaer KS, Kunnus K, et al. (2019) Hot branching dynamics in a light-harvesting iron carbene complex revealed by ultrafast x-ray emission spectroscopy. Angewandte Chemie (International Ed. in English) |
| Tsuru S, Vidal ML, Pápai M, et al. (2019) Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations. The Journal of Chemical Physics. 151: 124114 |