FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2158605552> ?p ?o ?g. }

• W2158605552 endingPage "61" @default.
• W2158605552 startingPage "57" @default.
• W2158605552 abstract "The absorption edge in Mn K-edge X-ray absorption spectra of manganese oxide compounds shows a shift of several electronvolts in going from MnO through LaMnO3 to CaMnO3 .O nthe other hand, in X-ray photoelectron spectra much smaller shifts are observed. To identify the mechanisms that cause the observed chemical shifts, 1s ionization as well as 1s 3 transition energies have been determined by electronic structure calculations on embedded Mn ions and embedded MnO6 clusters. Systematic variation of the cluster geometry and the cluster embedding showed that the chemical shifts are predominantly determined by two effects: the changes in the Mn 3d occupation and the changes in the Madelung potential. The large chemical shift in the 1s 3 4p transition energies between different materials occurs because the two effects do not compensate each other. The chemical shifts obtained for the embedded MnO6 clusters agree reasonably with the experimental shifts. The small sensitivity to the material observed for the Mn 1s ionization energies is explained by the near cancellation of the effects of the Madelung potential and the 3d occupation of the Mn ion. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem 91: 57- 61, 2003" @default.
• W2158605552 created "2016-06-24" @default.
• W2158605552 creator A5042612904 @default.
• W2158605552 creator A5044051099 @default.
• W2158605552 creator A5091546759 @default.
• W2158605552 date "2002-11-21" @default.
• W2158605552 modified "2023-09-23" @default.
• W2158605552 title "Origin of the chemical shift in X-ray absorption near-edge spectroscopy at the MnK-edge in manganese oxide compounds" @default.
• W2158605552 cites W11526311 @default.
• W2158605552 cites W1655032274 @default.
• W2158605552 cites W1667476507 @default.
• W2158605552 cites W1965310519 @default.
• W2158605552 cites W1978663917 @default.
• W2158605552 cites W1984133131 @default.
• W2158605552 cites W1992633437 @default.
• W2158605552 cites W1996652961 @default.
• W2158605552 cites W1997782418 @default.
• W2158605552 cites W2001282553 @default.
• W2158605552 cites W2008429727 @default.
• W2158605552 cites W2013704980 @default.
• W2158605552 cites W2037732198 @default.
• W2158605552 cites W2057345708 @default.
• W2158605552 cites W2063846372 @default.
• W2158605552 cites W2074892221 @default.
• W2158605552 cites W2078201739 @default.
• W2158605552 cites W2081098229 @default.
• W2158605552 cites W2089872971 @default.
• W2158605552 cites W2090247728 @default.
• W2158605552 cites W2110488531 @default.
• W2158605552 cites W2149112730 @default.
• W2158605552 cites W2167172375 @default.
• W2158605552 cites W2312869559 @default.
• W2158605552 cites W2998625435 @default.
• W2158605552 cites W4251375550 @default.
• W2158605552 doi "https://doi.org/10.1002/qua.10370" @default.
• W2158605552 hasPublicationYear "2002" @default.
• W2158605552 type Work @default.
• W2158605552 sameAs 2158605552 @default.
• W2158605552 citedByCount "40" @default.
• W2158605552 countsByYear W21586055522013 @default.
• W2158605552 countsByYear W21586055522014 @default.
• W2158605552 countsByYear W21586055522015 @default.
• W2158605552 countsByYear W21586055522016 @default.
• W2158605552 countsByYear W21586055522017 @default.
• W2158605552 countsByYear W21586055522018 @default.
• W2158605552 countsByYear W21586055522019 @default.
• W2158605552 countsByYear W21586055522021 @default.
• W2158605552 countsByYear W21586055522022 @default.
• W2158605552 countsByYear W21586055522023 @default.
• W2158605552 crossrefType "journal-article" @default.
• W2158605552 hasAuthorship W2158605552A5042612904 @default.
• W2158605552 hasAuthorship W2158605552A5044051099 @default.
• W2158605552 hasAuthorship W2158605552A5091546759 @default.
• W2158605552 hasConcept C107872376 @default.
• W2158605552 hasConcept C113196181 @default.
• W2158605552 hasConcept C119824511 @default.
• W2158605552 hasConcept C120665830 @default.
• W2158605552 hasConcept C121332964 @default.
• W2158605552 hasConcept C125287762 @default.
• W2158605552 hasConcept C143481972 @default.
• W2158605552 hasConcept C159985019 @default.
• W2158605552 hasConcept C162307627 @default.
• W2158605552 hasConcept C179104552 @default.
• W2158605552 hasConcept C181966813 @default.
• W2158605552 hasConcept C185592680 @default.
• W2158605552 hasConcept C191897082 @default.
• W2158605552 hasConcept C192562407 @default.
• W2158605552 hasConcept C2779851234 @default.
• W2158605552 hasConcept C2780852000 @default.
• W2158605552 hasConcept C2993225395 @default.
• W2158605552 hasConcept C32891209 @default.
• W2158605552 hasConcept C41008148 @default.
• W2158605552 hasConcept C49040817 @default.
• W2158605552 hasConcept C50792271 @default.
• W2158605552 hasConcept C528890316 @default.
• W2158605552 hasConcept C62284982 @default.
• W2158605552 hasConcept C62520636 @default.
• W2158605552 hasConcept C76155785 @default.
• W2158605552 hasConceptScore W2158605552C107872376 @default.
• W2158605552 hasConceptScore W2158605552C113196181 @default.
• W2158605552 hasConceptScore W2158605552C119824511 @default.
• W2158605552 hasConceptScore W2158605552C120665830 @default.
• W2158605552 hasConceptScore W2158605552C121332964 @default.
• W2158605552 hasConceptScore W2158605552C125287762 @default.
• W2158605552 hasConceptScore W2158605552C143481972 @default.
• W2158605552 hasConceptScore W2158605552C159985019 @default.
• W2158605552 hasConceptScore W2158605552C162307627 @default.
• W2158605552 hasConceptScore W2158605552C179104552 @default.
• W2158605552 hasConceptScore W2158605552C181966813 @default.
• W2158605552 hasConceptScore W2158605552C185592680 @default.
• W2158605552 hasConceptScore W2158605552C191897082 @default.
• W2158605552 hasConceptScore W2158605552C192562407 @default.
• W2158605552 hasConceptScore W2158605552C2779851234 @default.
• W2158605552 hasConceptScore W2158605552C2780852000 @default.
• W2158605552 hasConceptScore W2158605552C2993225395 @default.
• W2158605552 hasConceptScore W2158605552C32891209 @default.
• W2158605552 hasConceptScore W2158605552C41008148 @default.
• W2158605552 hasConceptScore W2158605552C49040817 @default.

• next