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THERMAL-DEPENDENCE OF MULTIPLE-SCATTERING USING INDEPENDENTLY ESTABLISHED DYNAMICAL INFORMATION
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UNSPECIFIED (1995) THERMAL-DEPENDENCE OF MULTIPLE-SCATTERING USING INDEPENDENTLY ESTABLISHED DYNAMICAL INFORMATION. In: 8th International Conference on X-Ray Absorption Fine Structure (XAFS VIII), FREIE UNIV BERLIN, BERLIN, GERMANY, AUG 28-SEP 01, 1994. Published in: PHYSICA B-CONDENSED MATTER, 209 (1-4). pp. 39-41. ISSN 0921-4526.
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Abstract
Thermal disorder in EXAFS is normally treated using adjustable parameters which assign Debye-Waller like terms to all of the single and multiple scattering paths contributing to the fine structure. The resulting calculation may well fit an incorrect theory to the data. This paper describes a study in which the multiple scattering theory is quantitatively tested by eliminating the fitting procedure and inputing predetermined values for the thermal disorder in a configurational averaging calculation. The test system chosen is the zinc tetraimidazole complex in which all 105 vibrational normal modes have been modelled and their effects on the EXAFS signal calculated as a function of temperature.
Item Type: | Conference Item (UNSPECIFIED) | ||||
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Subjects: | Q Science > QC Physics | ||||
Journal or Publication Title: | PHYSICA B-CONDENSED MATTER | ||||
Publisher: | ELSEVIER SCIENCE BV | ||||
ISSN: | 0921-4526 | ||||
Official Date: | March 1995 | ||||
Dates: |
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Volume: | 209 | ||||
Number: | 1-4 | ||||
Number of Pages: | 3 | ||||
Page Range: | pp. 39-41 | ||||
Publication Status: | Published | ||||
Title of Event: | 8th International Conference on X-Ray Absorption Fine Structure (XAFS VIII) | ||||
Location of Event: | FREIE UNIV BERLIN, BERLIN, GERMANY | ||||
Date(s) of Event: | AUG 28-SEP 01, 1994 |
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