| 1. |
- Kolczewski, C., et al.
(författare)
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Detailed study of pyridine at the C1s and N1s ionization thresholds : The influence of the vibrational fine structure
- 2001
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 115:14, s. 6426-6437
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Tidskriftsartikel (refereegranskat)abstract
- High resolution, vibrationally resolved, near-edge x-ray absorption fine structure (NEXAFS) spectra at the C 1s and N 1s ionization thresholds of pyridine and deuterated d(5)-pyridine in the gas phase have been recorded. The high resolution of 65 meV (150 meV) at the C s (N 1s) ionization thresholds reveals vibrational structures in the spectra. Detailed ab initio and density functional theory (DFT) calculations were performed to interpret the experimental spectra and to assign the observed peaks. In particular we focused on the previously unexplained intensity ratio for the two components of the C1s -->1 pi* transition. For this transition the vibrational structure is included through a linear coupling model in the DFT calculations and leads to the experimentally observed similar to2:3 intensity ratio between the two pi* components in the C1s spectrum rather than the similar to3:2 ratio obtained without vibrational effects. After inclusion of relaxation effects in the excited states, in addition to the vibrational effects, both theoretical methods yield almost perfect agreement with experiment.
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| 2. |
- Burmeister, F., et al.
(författare)
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A study of the inner-valence ionization region in HCl and DCl
- 2004
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 37:6, s. 1173-1183
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Tidskriftsartikel (refereegranskat)abstract
- An in-depth photoionization study of the inner-valence electrons in HCl and DCl has been performed using synchrotron radiation. A series of photoelectron spectra of HCl were obtained at a resolution of 23 meV over the binding energy range 25-30.5 eV at various excitation energies and at two different electron collection angles relative to the plane of polarization of the undulator radiation. In addition, photoelectron spectra of DCl were recorded at two different excitation energies. These spectra were compared directly with the threshold photoelectron spectra of HCl and DCl that were recorded previously under similar resolution conditions (similar to30 meV). This comparative study reveals new information on the nature of the numerous band systems observed in this binding energy region. In addition, we present the experimental confirmation of the theoretical prediction given by Andersson et al (2001 Phys. Rev. A 65 012705) that a vibrational progression showing interference structure would appear in the main inner-valence ionization band in the photoelectron spectrum of DCl at a resolution of 10 meV.
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| 3. |
- Kallner Bastviken, Sofia, et al.
(författare)
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Potential nitrification and denitrification on different surfaces in a constructed treatment wetland
- 2004
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Ingår i: Journal of environmental quality. - 0047-2425. ; 32:6, s. 2414-2420
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Tidskriftsartikel (refereegranskat)abstract
- Improved understanding of the importance of different surfaces in supporting attached nitrifying and denitrifying bacteria is essential if we are to optimize the N removal capacity of treatment wetlands. The aim of this study was therefore to examine the nitrifying and denitrifying capacity of different surfaces in a constructed treatment wetland and to assess the relative importance of these surfaces for overall N removal in the wetland. Intact sediment cores, old pine and spruce twigs, shoots of Eurasian watermilfoil (Myriophyllum spicatum L.), and filamentous macro-algae were collected in July and November 1999 in two basins of the wetland system. One of the basins had been constructed on land that contained lots of wood debris, particularly twigs of coniferous trees. Potential nitrification was measured using the isotope-dilution technique, and potential denitrification was determined using the acetylene-inhibition technique in laboratory microcosm incubations. Nitrification rates were highest on the twigs. These rates were three and 100 times higher than in the sediment and on Eurasian watermilfoil, respectively. Potential denitrification rates were highest in the sediment. These rates were three times higher than on the twigs and 40 times higher than on Eurasian watermilfoil. The distribution of denitrifying bacteria was most likely due to the availability of organic material, with higher denitrification rates in the sediment than on surfaces in the water column. Our results indicate that denitrification, and particularly nitrification, in treatment wetlands could be significantly increased by addition of surfaces such as twigs.
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