Uncertainty quantification in theoretical spectroscopy: The structural sensitivity of X‐ray emission spectra
Sign Up to like & getrecommendations! Published in 2018 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.25458
Abstract: We present a methodology for analyzing the dependence of molecular spectra calculated with quantum-chemical methods on the underlying molecular structure. This analysis is applied to investigate the structural sensitivity of calculated valence-to-core X-ray emission (VtC-XES)… read more here.
Keywords: theoretical spectroscopy; methodology; structural sensitivity; spectroscopy ... See more keywords
Thermal and non-thermal X-ray emission from stellar clusters and superbubbles
Sign Up to like & getrecommendations! Published in 2020 at "Astrophysics and Space Science"
DOI: 10.1007/s10509-019-3719-5
Abstract: Massive stellar clusters inject significant mass and energy into their surroundings driving superbubbles, 100–1000 pc diameter shells of swept-up interstellar material that contain a hot ( 10 6 $10^{6}$ K), shock-heated gas. Analytically, the evolution of… read more here.
Keywords: non thermal; thermal non; stellar clusters; ray emission ... See more keywords
The Relation Between Magnetic Fields and X-ray Emission for Solar Microflares and Active Regions
Sign Up to like & getrecommendations! Published in 2017 at "Solar Physics"
DOI: 10.1007/s11207-017-1146-8
Abstract: We present the result of a comparison between magnetic field parameters and the intensity of X-ray emission for solar microflares with Geosynchronous Operational Environmental Satellites (GOES) classes from A0.02 to B5.1. For our study, we… read more here.
Keywords: emission solar; pff; ray emission; solar microflares ... See more keywords
Time-dependent density functional theory study of the X-ray emission spectroscopy of amino acids and proteins
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.137860
Abstract: Abstract The non-resonant X-ray emission spectroscopy of amino acids and a dipeptide have been studied using time-dependent density functional theory (TDDFT) calculations at the nitrogen and oxygen K-edges. Comparison with higher level calculations and experimental… read more here.
Keywords: spectroscopy amino; amino acids; emission spectroscopy; time dependent ... See more keywords
Structure of high resolution Lα and Lβ1 x-ray emission spectra of 38Sr compounds
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2018.12.213
Abstract: Abstract The recent advances in the instrumental operating detection system provide better understanding of the several atomic parameters such as characteristic x-ray emission lines, relative intensity ratio and line-width, transition probabilities, Coster-Kronig transitions and fluorescence… read more here.
Keywords: ray emission; emission spectra; 38sr compounds; high resolution ... See more keywords
Influence of electrode geometry on X-ray emission, plasma inductance, voltage, and current derivative signals obtained from a plasma focus device
Sign Up to like & getrecommendations! Published in 2021 at "Results in physics"
DOI: 10.1016/j.rinp.2021.104016
Abstract: Abstract Plasma focus devices have been investigated as a pulsed radiation source. Different studies have shown that the shape of the anode affects strongly the plasma dynamic and x-ray emission that takes place in plasma… read more here.
Keywords: voltage; plasma focus; ray emission; geometry ... See more keywords
Chemical State Mapping of Amorphous Carbon Films by Soft X-ray Emission Spectroscopy
Sign Up to like & getrecommendations! Published in 2019 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927619009504
Abstract: Soft X-ray emissions, which originate from electronic transitions from valence bands (bonding electron states) to inner-shell electron levels, inform us energy states of bonding electrons if those energies are analyzed with an energy resolution better… read more here.
Keywords: spectroscopy; ray emission; emission spectroscopy; chemical state ... See more keywords
Sulfate Speciation Analysis Using Soft X-ray Emission Spectroscopy.
Sign Up to like & getrecommendations! Published in 2021 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.1c01187
Abstract: The chemical and electronic structures of 15 different sulfates are studied using S L2,3 soft X-ray emission spectroscopy (XES). Sulfur L2,3 XES spectra of sulfates are distinctively different from those of other sulfur compounds, which… read more here.
Keywords: emission; using soft; emission spectroscopy; spectroscopy ... See more keywords
Kβ X-ray Emission Spectroscopy as a Probe of Cu(I) Sites: Application to the Cu(I) Site in Preprocessed Galactose Oxidase.
Sign Up to like & getrecommendations! Published in 2020 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.0c02495
Abstract: Cu(I) active sites in metalloproteins are involved in O2 activation, but their O2 reactivity is difficult to study due to the Cu(I) d10 closed shell which precludes the use of conventional spectroscopic methods. Kβ X-ray… read more here.
Keywords: site preprocessed; emission spectroscopy; spectroscopy; ray emission ... See more keywords
Quantification of Ni-N-O Bond Angles and NO Activation by X-ray Emission Spectroscopy.
Sign Up to like & getrecommendations! Published in 2020 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.0c02724
Abstract: A series of β-diketiminate Ni-NO complexes with a range of NO binding modes and oxidation states were studied by X-ray emission spectroscopy (XES). The results demonstrate that XES can directly probe and distinguish end-on vs… read more here.
Keywords: coordination; bond; emission spectroscopy; spectroscopy ... See more keywords
Strain and ligand effects in Pt-Ni alloys studied by valence-to-core X-ray emission spectroscopy
Sign Up to like & getrecommendations! Published in 2021 at "Scientific Reports"
DOI: 10.1038/s41598-021-93068-0
Abstract: Experimental detection of the Pt 5d densities of states in the valence band is conducted on a series of Pt-Ni alloys by high energy resolution valence-to-core X-ray emission spectroscopy (VTC-XES) at the Pt L3-edge. VTC-XES… read more here.
Keywords: band; valence; spectroscopy; ray emission ... See more keywords