Calculating X-ray absorption near-edge structure at very low energy

The measurement and calculation of X-ray absorption near-edge structure at very low energy can provide important information about a metallic center in biological compounds. A rapid overview of the biological applications of this technique is given, then a new method of calculating the spectra is pr...

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Veröffentlicht in:Journal of synchrotron radiation. - 1994. - 10(2003), Pt 1 vom: 01. Jan., Seite 58-63
1. Verfasser: Joly, Yves (VerfasserIn)
Format: Aufsatz
Sprache:English
Veröffentlicht: 2003
Zugriff auf das übergeordnete Werk:Journal of synchrotron radiation
Schlagworte:Journal Article Organometallic Compounds Proteins titanium dioxide 15FIX9V2JP Titanium D1JT611TNE Acrylonitrile MP1U0D42PE
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520 |a The measurement and calculation of X-ray absorption near-edge structure at very low energy can provide important information about a metallic center in biological compounds. A rapid overview of the biological applications of this technique is given, then a new method of calculating the spectra is presented. This technique, based on the use of the finite-difference method to solve the Schrödinger equation, is especially precise and potentially applicable to metalloproteins. Examples of its use on an oxide and an organic compound illustrate the kind of spectroscopic information that can be obtained 
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