1.2k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Centre National de la Recherche ScientifiqueFR44 papers
- Philipps University of MarburgDE30 papers
- Deutsches Elektronen-Synchrotron DESYDE27 papers
- Freie Universität BerlinDE24 papers
- European X-Ray Free-Electron LaserDE22 papers
- Goethe University FrankfurtDE22 papers
- University of FreiburgDE20 papers
- Hebrew University of JerusalemIL17 papers
- Fritz Haber Institute of the Max Planck SocietyDE16 papers
- Helmholtz-Zentrum Berlin für Materialien und EnergieDE16 papers
- Johannes Gutenberg University MainzDE14 papers
- Universität HamburgDE14 papers
25 papers · 1 filter
Intermolecular Radiative Decay: A non-local decay mechanism providing an insider's view of the solvation shell
Johan Söderström, Lucas M. Cornetta, Victor Ekholm +21
Aqueous solutions are crucial in chemistry, biology, environmental science, and technology. The chemistry of solutes is influenced by the surrounding solvation shell of water molec…
Statistical theory of cumulant mapping in an imperfect apparatus
S. Patchkovskii, J. Mikosch
Cumulant mapping has been recently suggested [Frasinski, Phys. Chem. Chem. Phys. 24, 207767 (2022)] as an efficient approach to observing multi-particle fragmentation pathways, whi…
Evolutionary Monte Carlo of QM properties in chemical space: Electrolyte design
Konstantin Karandashev, Jan Weinreich, Stefan Heinen +4
Optimizing a target function over the space of organic molecules is an important problem appearing in many fields of applied science, but also a very difficult one due to the vast…
Towards self-driving laboratories: The central role of density functional theory in the AI age
Bing Huang, Guido Falk von Rudorff, O. Anatole von Lilienfeld
Density functional theory (DFT) plays a pivotal role for the chemical and materials science due to its relatively high predictive power, applicability, versatility and computationa…
Improved decision making with similarity based machine learning: Applications in chemistry
Dominik Lemm, Guido Falk von Rudorff, O. Anatole von Lilienfeld
Despite the fundamental progress in autonomous molecular and materials discovery, data scarcity throughout chemical compound space still severely hampers the use of modern ready-ma…
Increasing ion yield circular dichroism in femtosecond photoionisation using optimal control theory
Manel Mondelo-Martell, Daniel Basilewitsch, Hendrike Braun +2
We investigate how optimal control theory can be used to improve Circular Dichroism (CD) signals for A--band of fenchone measured via the photoionization yield upon further excitat…
Suppression of X-Ray-Induced Radiation Damage to Biomolecules in Aqueous Environments by Immediate Intermolecular Decay of Inner-Shell Vacancies
Andreas Hans, Philipp Schmidt, Catmarna Küstner-Wetekam +13
The predominant reason for the damaging power of high-energy radiation is multiple ionization of a molecule, either direct or via the decay of highly excited intermediates, as e.g.…
Photoelectron circular dichroism of O 1-photoelectrons of uniaxially oriented trifluoromethyloxirane: Energy dependence and sensitivity to molecular configuration
G. Nalin, K. Fehre, F. Trinter +25
The photoelectron circular dichroism (PECD) of the O 1s-photoelectrons of trifluoromethyloxirane(TFMOx) is studied experimentally and theoretically for different photoelectron kine…
Deciphering the Rotational Spectrum of the First Excited Torsional State of Propylene Oxide
Pascal Stahl, Benjamin E. Arenas, Oliver Zingsheim +5
The first excited torsional state of the chiral molecule propylene oxide, , is investigated from millimeter up to sub-millimeter wavelengths (75-950 GHz…
Observation of photoelectron circular dichroism using a nanosecond laser
Alexander Kastner, Tom Ring, Hendrike Braun +2
Photoelectron circular dichroism (PECD) is a fascinating phenomenon both from a fundamental science aspect but also due to its emerging role as a highly sensitive analytic tool for…
Mass-independent analysis of the stable isotopologues of gas-phase titanium monoxide -- TiO
Alexander A. Breier, Björn Waßmuth, Guido W. Fuchs +2
More than 130 pure rotational transitions of TiO, TiO, TiO, TiO, TiO, and TiO are recorded using a high-resolution mm-wave superson…
Attosecond Coherent Electron Motion in Auger-Meitner Decay
Siqi Li, Taran Driver, Philipp Rosenberger +38
In quantum systems, coherent superpositions of electronic states evolve on ultrafast timescales (few femtosecond to attosecond, 1 as = 0.001 fs = 10^{-18} s), leading to a time dep…
The Millimeter-Wave Spectrum of Doubly Deuterated Propylene Oxide CHCHCDO
Pascal Stahl, Denis Kargin, Rudolf Pietschnig +2
Spectra of doubly deuterated propylene oxide, CHCHCDO, were recorded in the millimeter-wave spectral region up to 330 GHz utilizing a 2f frequency modulated Terahertz spect…
A new route for enantio-sensitive structure determination by photoelectron scattering on molecules in the gas phase
K. Fehre, N. M. Novikovskiy, S. Grundmann +28
X-ray as well as electron diffraction are powerful tools for structure determination of molecules. Studies on randomly oriented molecules in the gas-phase address cases in which mo…
Ab initio study and assignment of electronic states in molecular RaCl
T. A. Isaev, A. V. Zaitsevskii, A. Oleynichenko +5
Radium compounds have attracted recently considerable attention due to both development of experimental techniques for high-precision laser spectroscopy of molecules with short-liv…
Site-specific Interrogation of an Ionic Chiral Fragment During Photolysis Using an X-ray Free-Electron Laser
Markus Ilchen, Philipp Schmidt, Nikolay M. Novikovskiy +24
Short-wavelength free-electron lasers with their ultrashort pulses at high intensities have originated new approaches for tracking molecular dynamics from the vista of specific sit…
Electronic Quantum Coherence in Glycine Molecules Probed with Ultrashort X-ray Pulses in Real Time
David Schwickert, Marco Ruberti, Přemys Kolorenč +25
Quantum coherence between electronic states of a photoionized molecule and the resulting process of ultrafast electron-hole migration have been put forward as a possible quantum me…
High-resolution resonance-enhanced multiphoton photoelectron circular dichroism
Alexander Kastner, Greta Koumarianou, Pavle Glodic +13
Photoelectron circular dichroism (PECD) is a highly sensitive enantiospecific spectroscopy for studying chiral molecules in the gas phase using either single-photon ionization or m…
Attosecond Transient Absorption Spooktroscopy: a ghost imaging approach to ultrafast absorption spectroscopy
Taran Driver, Siqi Li, Elio G. Champenois +38
The recent demonstration of isolated attosecond pulses from an X-ray free-electron laser (XFEL) opens the possibility for probing ultrafast electron dynamics at X-ray wavelengths.…
State-dependent fragmentation of protonated uracil and uridine
Martin Pitzer, Christian Ozga, Catmarna Küstner-Wetekam +6
Tandem mass spectroscopy () combined with single photon excitation in the VUV range (photon energy 4.5-9 eV) was performed on protonated uracil ()…
Emitter-site selective photoelectron circular dichroism of trifluoromethyloxirane
M. Ilchen, G. Hartmann, P. Rupprecht +13
The angle-resolved inner-shell photoionization of R-trifluoromethyloxirane, C3H3F3O, is studied experimentally and theoretically. Thereby, we investigate the photoelectron circular…
Intermediate state dependence of the photoelectron circular dichroism of fenchone observed via femtosecond resonance-enhanced multi-photon ionization
Alexander Kastner, Tom Ring, Bastian C. Krüger +4
The intermediate state dependence of photoelectron circular dichroism (PECD) in resonance-enhanced multi-photon ionization of fenchone in the gas phase is experimentally studied. B…
Stereochemical configuration and selective excitation of the chiral molecule halothane
Martin Pitzer, Gregor Kastirke, Phillip Burzynski +12
X-ray single-photon ionization and fragmentation of the chiral molecule halothane (CHBrClCF) from a racemic mixture have been investigated using the COLTRIMS (Cold Target R…
Direct probe of anisotropy in atom-molecule collisions via quantum scattering resonances
Ayelet Klein, Yuval Shagam, Wojciech Skomorowski +8
Anisotropy is a fundamental property of particle interactions. It occupies a central role in cold and ultra-cold molecular processes, where long range forces have been found to sig…