Search Results - "Oberli, Soléne"
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Magnetic, Mechanically Interlocked Porphyrin–Carbon Nanotubes for Quantum Computation and Spintronics
Published in Journal of the American Chemical Society (22-12-2021)“…Atomic-scale reproducibility and tunability endorse magnetic molecules as candidates for spin qubits and spintronics. A major challenge is to implant those…”
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On-the-Fly ab Initio Semiclassical Dynamics of Floppy Molecules: Absorption and Photoelectron Spectra of Ammonia
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04-06-2015)“…We investigate the performance of on-the-fly ab initio (OTF-AI) semiclassical dynamics combined with the thawed Gaussian approximation (TGA) for computing…”
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Core-Hole Coherent Spectroscopy in Molecules
Published in Physical review letters (28-06-2024)“…We study the ultrafast dynamics initiated by a coherent superposition of core-excited states of nitrous oxide molecule. Using high-level ab initio methods, we…”
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Electronic Population Transfer via Impulsive Stimulated X-Ray Raman Scattering with Attosecond Soft-X-Ray Pulses
Published in Physical review letters (14-08-2020)“…Free-electron lasers provide a source of x-ray pulses short enough and intense enough to drive nonlinearities in molecular systems. Impulsive interactions…”
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Observation of site-selective chemical bond changes via ultrafast chemical shifts
Published in Nature communications (22-11-2022)“…The concomitant motion of electrons and nuclei on the femtosecond time scale marks the fate of chemical and biological processes. Here we demonstrate the…”
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Core-hole Coherent Spectroscopy in Molecules
Published 27-06-2024“…Phys. Rev. Lett. 132, 263202 (2024) We study the ultrafast dynamics initiated by a coherent superposition of core-excited states of nitrous oxide molecule…”
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