"Any popular and free software for lattice energy calculation (inorganic compounds) out there ? Thanks" GULP maybe from Julian Gale...located now at: ...
This is the scientific place for discussion about some Quantum theories like Quantum Electrodynamics(QED), Quantum Chromodynamics (QCD), Quantum Field...
J. Appl. Cryst. (2004). 37, 1025-1028 [ doi:10.1107/S0021889804021417 ] Automatic structure determination from powder data with EXPO2004 A. Altomare, R....
Could someone provide PDF for this paper (shame but our library does not have this journal). Peter Zavalij ... From: Armel Le Bail [mailto:alb@...] ...
Peter Zavalij
zavalij@...
Nov 15, 2004 9:17 pm
1393
This is the scientific place for discussion about some Quantum theories like Quantum Electrodynamics(QED), Quantum Chromodynamics (QCD), Quantum Field...
Hi, Finally, we can wait a bit before closing this SDPD mailing list. It seems that in some cases, just pressing the EXPO2004 button will not be enough ;-) The...
... proposed in SDPD during the last 20 years. This native English speaker had to look it up... from http://www.dictionary.com: Phagocytized: To ingest by...
Jon Wright
wright@...
Nov 17, 2004 11:43 am
1397
... Intentional. The word phagocytosis just seemed appropriate and colorful. Scientists (including me) are all experts in absorbing foreign bodies, climbing on...
Dear all, I am working with Strontium Phosphates. Recently, I got a synchrotron data which couldn't be indexed with any unit cells in PDF-2 DB, ICSD and papers...
It looks very good BUT in order to be absolutely sure that this is correct indexing and it is new structure you have to solve it. Peter Zavalij ... From:...
Peter Zavalij
zavalij@...
Nov 17, 2004 7:34 pm
1400
It really looks exciting.Why don't you put this question in the Rietveld mailing list!! There you might get better response. Good luck. Regards, Apu ...
apu@...
Nov 18, 2004 3:02 am
1401
... Not better, the same. Most Rietveld mailing list subscribers (~1000) are also subscribers (~450] of the dissident SDPD mailing list. The difference...
... With remorse, taking 20 minutes for a partial exploration : Seeing in ICSD (version 1997...) search for 1700 < V < 2000 A**3 : 1712 entries search for...
Dear Namsoo and others This cell certainly looks very promising - it's probably at least a correct derivative cell and may be the actual physical cell itself. ...
Robin Shirley
R.Shirley@...
Nov 18, 2004 6:19 pm
1404
Dear all, I encounter a (serious) problem when trying to index an X-ray powder pattern. The data was measured on a good diffractometer (Philips X-celerator, Cu...
Dear all, I have some questions about atoms occupation in some example found with Fullprof program (November04): 1-In tbbaco.pcr file The formula of the...
Hello, According to the Fullprof manual: Occ - Occupation number: Occupation number i.e. chemical occupancy × site multiplicity (can be normalised to the...
Dear Cristian Consider the possibility that you have a small triclinic distortion of this monoclinic cell, which becomes significant only at higher 2Theta. A...
Robin Shirley
R.Shirley@...
Nov 22, 2004 1:12 pm
1408
Dear Cristian, I do not know what is your compound, but looking on your webpage I have seen that one of the themes of your laboratory (even if you are listed ...
Dear Christian, What is the quality of the low-temperature fit? I was thinking that you could experience a temperature dependent shift of the sample surface....
Hi I don't think this has something to do with the temperature (not in this way) because the low temperature and the high temperature (higher than this one)...
Hi, The GRINSP software proposes more hypothetical inorganic compounds in less time, due to optimizations of the prediction algorithm. A new parameter (Rdt0)...
Several times recently, when posting a contribution to the sdpd list, ... But if you *do* click on the hotspot as requested, you just get linked to the...
Robin Shirley
R.Shirley@...
Nov 22, 2004 9:26 pm
1413
More about GRINSP. A new code named GRINS (Geometrically Restrained INorganic Structure) - without the P for Prediction can be made available to those...
Hi, It seems that Google Scholar is a big support to a more open access to the Knowledge. There is even a citation number used for ranking the documents or...
Hi, I'm searching for a program to produce the .pcr-input for the rigid body option in Fullprof from a list a atom positions and bonds - that is, the...
Daniel Toebbens
Daniel.Toebbens@...
Nov 25, 2004 1:01 pm
1416
Fox can export CIF file (hope it works), and Fullprof can import it. Best regards Radovan Cerny...
Dear Colleagues, I am writing to call your attention to a three-day course, "High Resolution Powder Diffraction Data Collection and Analysis" to be held at the...
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