UNSPECIFIED (1999) EXAFS calculations using Debye-Waller factors deduced from inelastic neutron scattering. In: N(2)M Workshop on Neutrons and Numerical Methods, DEC, 1998, GRENOBLE, FRANCE.

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Abstract

An EXAFS calculation has been performed for the zinc tetraimidazole molecular cluster, which includes thermal damping corrections established from inelastic neutron scattering. Analytic expressions for the damping factors involving multiple scattering path variances are discussed and some variances shown. Explicit calculation of thermal parameters enables a quantitive comparison between experiment and theory to be carried out, without the need for fitting. For one particular code (FEFF6), differences between theory and experiment are evident.

Item Type:	Conference Item (UNSPECIFIED)
Subjects:	Q Science > QC Physics
Series Name:	AIP CONFERENCE PROCEEDINGS
Journal or Publication Title:	NEUTRONS AND NUMERICAL METHODS-N(2)M
Publisher:	AMER INST PHYSICS
ISBN:	1-56396-838-X
ISSN:	0094-243X
Editor:	Johnson, MR and Kearley, GJ and Buttner, HG
Date:	1999
Volume:	479
Number of Pages:	5
Page Range:	pp. 167-171
Publication Status:	Published
Title of Event:	N(2)M Workshop on Neutrons and Numerical Methods
Location of Event:	GRENOBLE, FRANCE
Date(s) of Event:	DEC, 1998
URI:	http://wrap.warwick.ac.uk/id/eprint/13889

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