3.5k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University Hospital Schleswig-HolsteinDE21 papers
- Universität HamburgDE14 papers
- Ludwig-Maximilians-Universität MünchenDE11 papers
- University of OxfordGB10 papers
- Hamburg University of TechnologyDE9 papers
- University Medical Center Hamburg-EppendorfDE9 papers
- Worcester Polytechnic InstituteUS9 papers
- Christian-Albrechts-Universität zu KielDE8 papers
- Heidelberg UniversityDE8 papers
- University of KaiserslauternDE8 papers
- Fraunhofer Institute for Digital MedicineDE7 papers
- Institute of Applied Mathematics and MechanicsUA7 papers
16 papers · 1 filter
Compact magnetic field cycling system with the range from nT to 9.4 T exemplified with 13C relaxation dispersion and SABRE-SHEATH hyperpolarization
Josh P. Peters, Charbel D. Assaf, Jan-Bernd Hövener +1
We present a compact magnetic field cycling system for high-resolution NMR spectrometers. The system enables the transfer of the sample from B0 field of 9.4 T to about nT and all f…
Magnetization and Polarization of Coupled Nuclear Spin Ensembles
Danila A. Barskiy, Andrey Pravdivtsev
In nuclear magnetic resonance (NMR), the bulk magnetization of a sample is commonly assumed to be proportional to spin polarization, with each spin of the same type contributing eq…
Beyond Vibrationally Mediated Electron Transfer: Coherent Phenomena Induced by Ultrafast Charge Separation
Robert Huber, Lars Dworak, Jacques E. Moser +2
Wave packet propagation succeeding electron transfer (ET) from alizarin dye molecules into the nanocrystalline TiO2 semiconductor has been studied by ultrafast transient absorption…
High-spin low-spin transition
H. Grünsteudel, H. Paulsen, H. Winkler +2
Temperature dependent nuclear inelastic-scattering (NIS) of synchrotron radiation was applied to investigate both spin states of the spin-crossover complex [Fe(tpa)(NCS)(2)] (tpa =…
Interpretation of Mössbauer spectra in the energy and time domain with neural networks
H. Paulsen, R. Linder, F. Wagner +3
An artificial neural network for extracting reasonable and fast estimates of hyperfine parameters from Mössbauer spectra in the energy or time domain is outlined. First promising r…
Pressure-induced changes of the vibrational modes of spin-crossover complexes studied by nuclear resonance scattering of synchrotron radiation
A. X. Trautwein, H. Paulsen, H. Winkler +6
Nuclear inelastic scattering (NIS) spectra were recorded for the spin-crossover complexes STP and ETP (STP = [Fe(1,1,1-trisf[N-(2-pyridylmethyl)-N-methylamino]methylg- ethane)](ClO…
DFT Calculations as a Tool to Analyse Quadrupole Splittings of Spin Crossover Fe(II) complexes
Juliusz Adam Wolny, Hauke Paulsen, Heiner Winkler +2
Density functional methods have been applied to calculate the quadrupole splitting of a series of iron(II) spin crossover complexes. Experimental and calculated values are in reaso…
Tin-DNA Complexes Investigated by Nuclear Inelastic Scattering of Synchrotron Radiation
Giampaolo Barone, Lars H. Böttger, Juliusz Adam Wolny +5
Nuclear inelastic scattering (NIS) of synchrotron radiation has been used to investigate the dynamics of tin ions chelated by DNA. Theoretical NIS spectra have been simulated with…
Nuclear Resonance Vibrational Spectroscopy of Iron Sulfur Proteins
Alfred Xaver Trautwein, Patrick Wegner, Heiner Winkler +5
Nuclear inelastic scattering in conjunction with density functional theory (DFT) calculations has been applied for the identification of vibrational modes of the high-spin ferric a…
Dynamics of Metal Centers Monitored by Nuclear Inelastic Scattering
Hauke Paulsen, Patrick Wegner, Heiner Winkler +11
Nuclear inelastic scattering of synchrotron radiation has been used now since 10 years as a tool for vibrational spectroscopy. This method has turned out especially useful in case…
Density functional theory calculations and vibrational spectroscopy on iron spin-crossover compounds
J. A. Wolny, H. Paulsen, A. X. Trautwein +1
Iron complexes with a suitable ligand field undergo spin-crossover (SCO), which can be induced reversibly by temperature, pressure or even light. Therefore, these compounds are hig…
Mössbauer, nuclear inelastic scattering and density functional studies on the second metastable state of Na2[Fe(CN)5NO]2H2O
V. Rusanov, H. Paulsen, L. H. Böttger +6
The structure of the light-induced metastable state SII of Na2[Fe(CN)5NO]2H2O 14 was investigated by transmission Mössbauer spectroscopy (TMS) in the temperature range 15 be…
Density Functional Theory Calculations for Spin Crossover Complexes
Hauke Paulsen, Alfred Xaver Trautwein
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main feat…
Mössbauer Studies of Coordination Compounds using Synchrotron Radiation
Hauke Paulsen, Volker Schünemann, Alfred Xaver Trautwein +1
Nuclear resonant forward scattering (NFS) and nuclear inelastic scattering (NIS) of synchrotron radiation are fairly recent spectroscopic methods for the investigation of complexes…
Chemical Bonds and Spin State Splittings in Spin Crossover Complexes. A DFT and QTAIM Analysis
Hauke Paulsen, Juliusz Adam Wolny, Alfred Xaver Trautwein
Density functional theory (DFT) calculations have been performed for the high-spin (HS) and low-spin (LS) isomers of a series of iron(II) spin crossover complexes with nitrogen lig…
Substituent Effects on the Spin-Transition Temperature in Complexes with Tris(pyrazolyl) Ligands
Hauke Paulsen, Lars Duelund, Axel Zimmermann +5
Iron (II) complexes with substituted tris(pyrazolyl) ligands, which exhibit a thermally driven transition from a low-spin state at low temperatures to a high-spin state at elevated…