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Title of Journal: J Struct Chem

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Abbravation: Journal of Structural Chemistry

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Springer US

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DOI

10.1002/chin.199731067

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1573-8779

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Inverse problem in XANES theory

Authors: Yu F Migal
Publish Date: 2009/03/15
Volume: 49, Issue: 1, Pages: 92-101
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Abstract

The latest results obtained by a method based on the formalism of the poles of the S matrix are reported The maxima of oneelectron origin in the soft Xray absorption spectra are assigned the coordinates of the Smatrix poles in a complex plane of energies for a model imitating a real system The oscillator strengths and the heights of maxima are now additionally taken into account as the initial data along with the energies and widths of maxima The role of the Watson sphere which should be introduced in the muffintin models for molecules is examined The formalism for the combined inclusion of XANES and EXAFS was developed This elaboration of the method allows an increased accuracy of inverse problem solving in the theory of Xray absorption spectra compared to methods developed earlier


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Other Papers In This Journal:

  1. Crystal structure and fluorescence of a new 2D layered cadmium(II) malate coordination polymer
  2. Crystal structure of ammonium pentachloroaquaruthenate(III) (NH 4 ) 2 [Ru(H 2 O)Cl 5 ]
  3. Structure of the surface layer of mercury and adhesion of Langmuir monolayers on it
  4. Microwave spectrum, centrifugal perturbation, dipole moment, and conformation of 5-methyl-1,3-dioxane
  5. Structural thermodynamic characteristics and intermolecular interactions in aqueous solutions of hexamethylphosphorotriamide
  6. Crystal And Molecular Structure of Zinc DI-(4-Chlorphenylthioacetate) Dihydrate
  7. Crystal structure of a two-dimensional Co(II) coordination polymer: [Co(μ-PP) 2 (SCN) 2 ] n [PP = 2-(pyridine-3-yloxy)pyrazine]
  8. Method for evaluating the probability of structural isomer-isomer transformations with large numbers of quasidegenerations of the energy levels of the interactant subsystems
  9. Structural characterization of dichloridobis( N,N’ -dimethylthiourea- S )cadmium(II)
  10. Refinement of LiFe 5 O 8 crystal structure
  11. Theoretical study of the conformational structure and thermodynamic properties of 5-(4-oxo-1,3-thiazolidine-2-ylidene)-rhodanine and ethyl-5-(4-oxo-1,3-thiazolidine-2-ylidene)-rhodanine-3-acetic acid as acceptor groups of indoline dyes
  12. Crystal Structure of Iridium(III) trans -Trifluoroacetylacetonate
  13. Study of the properties and structure of nanosize membranes for acousto-optic devices
  14. Micellar synthesis and characterization of ultradispersed powders of ammonium nitrate
  15. Ab initio quantum-chemical study of the mechanism of methoxide ion formation in MOH/DMSO/CH 3 OH systems (M = Li, Na, K)
  16. The product of thermobaric treatment of Pt 0.25 Os 0.75

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