While I don't have much experience with biological samples in exafs, if you
need to generate Ni - C paths, use the virtual path function in the new
Dartemis which is very easy to use.
Chris
Dr. Christopher Patridge
Assistant Professor of Chemistry
On 03/18/2014 10:31 AM, Douglas Langie da Silva wrote:
I am working with EXAFS data of V2O5 xerogel. In this form, the V2O5
present a monoclinic structure formed by bi-layers of VO5 pyramids
intercalated with water molecules. Fig 1 attached presents a view of the
V2O5 xerogel structure. There
Hi Douglas:
On Tue, 18 Mar 2014, Douglas Langie da Silva wrote:
Dear all,
I am working with EXAFS data of V2O5 xerogel. In this form, the V2O5
present a monoclinic structure formed by bi-layers of VO5 pyramids
intercalated with water molecules. Fig 1 attached presents a view of the
V2O5
Thanks Chris. Regards.
2014-03-18 11:54 GMT-03:00 Chris Patridge patri...@buffalo.edu:
Hello,
I think it is valid. The model for v2o5 is tough to fit well at low R
because the apical oxygen bond is so short that there is some significant
overlap between the background and signal near 1
I think it is not valid. You have too many fitting parameters for the first
shell (all your sigma2 are independent variables) and you ran out of
independent points that are limited by the delta R and delta K. To increase
delta R you extended your fitting range to the second shell but is
Thanks guys. With respect to the numbers, I only try a quick fit in order to
formulate the question in the list. My interest is to know if the procedure
to consider the two inequivalent positions is valid.
Regards.
2014-03-18 11:57 GMT-03:00 Bruce Ravel bra...@bnl.gov:
On 03/18/2014 10:31 AM,
Academically speaking, valid, but, practically, may not be useful if your
purpose is to fit the data and not just to construct a valid theoretical
calculation.
Most likely, the constraints you will have to apply in order to limit the
number of variables will be too restrictive which will defeat
Thaks Anatoly, in fact I have a set of EXAFS data of V2O5 xerogel
intercalated with Co atoms. I would like to have information of the effects
of Co intercalation in the local order around vanadium atoms.
2014-03-18 12:30 GMT-03:00 Anatoly I Frenkel afren...@yu.edu:
Academically speaking,
