It is polemic in terms of use coordination numbers or SO2, both are
connected. In fact, you calculate SO2 in Artemis but I do not how to obtain N
for my catalyst.
Ok, thank you very much Anatoly I am reading your papers.
Best regards,
JA
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n:Maciá Agulló;Juan Antonio
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This is not quite accurate: the coordination number measured by EXAFS is the
TOTAL number of closest neighbors per TOTAL number of absorbing atoms. If
the sample is a single phase, these two definitions are the same. If the
sample is heterogeneous, e.g., some percentage x of nanoparticles and the
r
Hi Juan,
I am not sure why you say that the question is
polemic. I will give you the definition that a
coordination chemist would give:
the coordination number is the number of closest neighbours.
But maybe I do not understand the question
Regards
Stefano
I have a simple question but I am
These references may be useful as the answers to both "why" and "how".
http://pubweb.bnl.gov/users/frenkel/www/PTRU/ptru.pdf
http://pubweb.bnl.gov/users/frenkel/www/PTRU/evolution.pdf
By "average", do you mean average betwee the A-B and A-A first nearest
neighbor coordination numbers? They shoul
Hi all,
I have a simple question but I am afraid it is polemic. Why people
always calculate coordination numbers and bond distances and how?
I have an e-mail where Bruce described perfectly how to calculate the
coordiantion number for the first shell. But,...if I have bimetallic
catalysts or/and
I would love to hear how you did it. One of the underlying problems
making even things for the powerpc complicated is the use of gcc 3
(there are linking problems with gcc 4). If you managed to hack
around this in a reproducible way, it would make life easier on the
powerpc side of the fe
