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
Dear all,
Is there a physical limitation determining exafs bond distance resolution?
Very often the equation r = pi / 2 deltak is quoted as a measure for
bond distance resolution. But as i understand this equation is related
to the fourier transform traditionally used for exafs analysis.
If
could you tell me how does one tune the bond angles from the multiple
scattreing paths?
Bindu
Dr.Bindu R.
Visiting Scientist
DCMPMS
Tata Institute of Fundamental Research
Homi Bhabha Road
Colaba
Mumbai-400 005
India
Mobile-919892536830
-
Chat on a cool,
Yes and a very important one - see Ed Stern's talk at the 2001 EXAFS workshop
advanced methods and tricks etc.
His talk is online.
Anatoly
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Sent: Tue
This question comes down to the following practical problem. If one
has a theoretical model developed using computational
chemistry that
predicts two different bond lengths within one shell, e.g. an
octahedral metal center surrounded by 6 oxygen atoms and
this shell is
predicted
On Tuesday 27 November 2007 12:02:57 Kropf, Arthur Jeremy wrote:
My guess would be that the EXAFS could probably be fitted
just as well with one distance and a slightly larger sigma2
as with 3 separate distances.
But this would depend some on the data quality and it might
be right at the
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
