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Sökning: WFRF:(Gotz Malte)

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1.
  • Atak, Kaan, et al. (författare)
  • The Chemical Bond in Carbonyl and Sulfinyl Groups Studied by Soft X-ray Spectroscopy and ab Initio Calculations
  • 2012
  • Ingår i: ChemPhysChem. - : Wiley. - 1439-4235 .- 1439-7641. ; 13:13, s. 3106-3111
  • Tidskriftsartikel (refereegranskat)abstract
    • The polar character of the sulfinyl bond, which determines many of the properties of dimethyl sulfoxide (DMSO), is a result of charge transfer in low-lying π-type orbitals. This characteristic—together with the wide energy gap between the highest occupied and the lowest unoccupied molecular orbitals of this substance—makes DMSO a relatively inert aprotic solvent with strong nucleophilicity and electrophilicity.
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2.
  • Engel, Nicholas, et al. (författare)
  • DMSO-Water Clustering in Solution Observed in Soft X-ray Spectra
  • 2012
  • Ingår i: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 3:24, s. 3697-3701
  • Tidskriftsartikel (refereegranskat)abstract
    • The significant deviation from the ideality of dimethyl sulfoxide (DMSO)/water mixtures can be addressed based on the change of the local molecular orbitals of each solvent upon mixing. Oxygen K-edge absorption and emission spectra of DMSO/water solutions were measured using the liquid microjet technique. The spectra demonstrate that the hydrogen bond network in liquid water is already influenced at small DMSO concentrations, and at the molar fraction x(DMSO) = 0.43 we find strong evidence of DMSO-water clustering reflected by the influence on the occupied molecular orbitals.
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3.
  • Gotz, Malte, et al. (författare)
  • Correction for volume recombination in liquid ionization chambers at high dose-per-pulse
  • 2019
  • Ingår i: Medical physics (Lancaster). - : WILEY. - 0094-2405 .- 2473-4209. ; 46:8, s. 3692-3699
  • Tidskriftsartikel (refereegranskat)abstract
    • Purpose To determine the volume recombination at high dose-per-pulse in liquid ionization chambers (LIC) and to ascertain whether existing calculation methods verified in air-filled chambers may be used to calculate a correction factor. Methods Two LICs, one filled with 2,2,4-trimethylpentane (isooctane) the other with tetramethylsilane (TMS), were irradiated in a pulsed, 20 MeV electron beam. Via reference measurements with a Faraday cup, the saturation correction for volume recombination was determined for dose-per-pulse values ranging from about 5 mGy to 1 Gy for both chambers at a pulse duration of 693 ns. In addition, the isooctane chamber was irradiated with pulses of varying duration, ranging from 5 ps to 10 ms, at a dose-per-pulse of about 76.5 mGy. The dose-per-pulse-dependent measurements were compared to calculations based on Boag's models (with and without a free electron fraction), the two-dose-rate method, and a numerical calculation. The pulse duration dependent measurements were compared only to a numerical calculation that iteratively calculates the charge transport and loss in a 1D model of an ionization chamber. Results In TMS only Boag's model with a free electron fraction and the numerical calculation are in good agreement with the experimental data. However, in isooctane, good agreement is observed between the experimental data, the numerical calculation as well as the two-dose-rate method, and Boag's model including a free electron fraction. Only Boag's model without a free electron fraction shows a good agreement with lesser extend. Furthermore, the pulse duration-dependent data for isooctane are well described by the numerical model. Conclusion With isooctane as an active medium, a LIC could be directly used in a field with high dose-per-pulse utilizing the well-established two-dose-rate method to correct the volume recombination. In addition, pulsed fields with variable pulse duration are easily modeled for this medium using a numerical calculation. Other media, as exemplified by the TMS-filled chamber, might require additional considerations, such as including a fraction of free electrons in the consideration of volume recombination.
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4.
  • Lange, Kathrin M., et al. (författare)
  • X-ray emission from pure and dilute H2O and D2O in a liquid microjet : Hydrogen bonds and nuclear dynamics
  • 2012
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 85:15, s. 155104-
  • Tidskriftsartikel (refereegranskat)abstract
    • Knowledge about the hydrogen bond network of water is essential for understanding its anomalies as well as its special role for biochemical systems. Different types of x-ray spectroscopy allow probing of the molecular orbitals of water, revealing the electronic structure which reflects the hydrogen bond conformations. In this work a recently developed high-resolution x-ray emission spectrometer was used in combination with the microjet technique for recording spectra of liquid H2O and D2O and their mixtures with acetonitrile. Variation of the nuclear dynamics via isotope substitution and variation of the hydrogen bond conformation via dissolution in acetonitrile was investigated. These two effects have two clearly distinguishable spectral fingerprints.
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  • Resultat 1-4 av 4

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