half have 8 carbon neighbors at
the same distance, the exafs signal will be that of 6 carbon neighbors.
Kind regards
Shelly
From: Ifeffit on behalf of Anatoly
Frenkel
Sent: Monday, April 24, 2023, 11:06 AM
To: XAFS Analysis using Ifeffit
Subject: Re
Joyti,
The coordination number of Rh-C bonds is defined as the total number of
Rh-C bonds in the sample divided by the total number of Rh atoms in the
sample.
Anatoly
---
Anatoly I. Frenkel
Professor
Department of Materials Science
Hi Sameh
I would recommend you to search in this website: https://xafs.org/Databases
Best wishes
Ying LIU
223 G.O.Jones Building
Centre of Condensed Matter and Material Physics
Department of Physics and Astronomy
Queen Mary, University of London
327 Mile End Road, London, E1 4NS
United
On Wednesday, March 13, 2013 08:24:41 PM davood dar wrote:
1. *1*.What is the ideal value of R- factor for any fit.
R-factor is a way of expressing percentage misfit. Smaller is
generally better, although smaller is not better if other aspects of
the fit are not defensible. For
It sounds like a good idea but you will still need to know whether the best fit
results for the bond length and third cumulant are correct. Since they are
expected to vary widely for different cluster sizes and different substrates
and different atmospheres, you should first try to see if your
Thank Anatoly.
Do you know J.penner-Hahn's e-mail or exact reference name?
I cant find his paper in search site.
Date: Tue, 19 Jan 2010 20:06:59 -0500
From: fren...@bnl.gov
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] (no subject)
There was a paper by J. Penner-Hahn et
in search site.
--
Date: Tue, 19 Jan 2010 20:06:59 -0500
From: fren...@bnl.gov
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] (no subject)
There was a paper by J. Penner-Hahn et al. studying ZnCl2 by EXAFS and
using it to demonstrate the quadrupole (1s
On Wednesday 11 March 2009 09:40:31 am Michael Jacob wrote:
I measured Fe(II) edge EXAFS data for my protein that has two iron sites
(Fe-Fe distance ~5A). My question is how to fit the model with the data?
Can I discard the contribution of multiple scattering effects to the
fitting? One most
I would like to be proven wrong but my feeling is, without even knowing
anything about this particular system, that one cannot observe Fe-Fe pair at
that distance in such complex case.
However, to approach it more rigorously, the first step would be to examine the
relative importance factors
On Tuesday 27 November 2007 09:12:33 Bindu R. wrote:
could you tell me how does one tune the bond angles from the multiple
scattreing paths?
Hi Bindu,
I don't quite understand the question. Perhaps you can offer a few
more details about what you are trying to do Are you doing EXAFS
Hi Bindu:
I am presuming that you mean that you want to tune the bond angle of the
MS paths in your EXAFS fitting but, as Bruce notes, I might be wrong.
The bond angles for the multiple scattering paths are simply calculated
from the positions of the atoms around the central atom in the FEFF
On Tuesday 27 November 2007 09:33:20 Carlo Segre wrote:
The bond angles for the multiple scattering paths are simply calculated
from the positions of the atoms around the central atom in the FEFF input
file. In the refinement process used by Ifeffit, the overall path length
is slightly
Hi Ruwn,
Using a different S02 for each path effectively means that you're
using a different coordination number for each path. In some cases,
that may be appropriate--for example, small nanoparticles with
unknown morphology. It should be noted, however, that S02 often
correlates highly with
On Thursday 15 February 2007 01:31, Ruwan Wijesundera wrote:
We have used Athena and Artemis software to analyses the EXAFS. When we do
the analysis, we used different S2o for each path for fitting of Cu2O data.
I succeeded to obtain good fitting by this way. Documents related to
percent EXAFS
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