Hi, Armel! I, personally, don't like constraints since I prefer being surprised to getting satisfied ;-). However, in our imperfect world constraints happen to...
2373
Armel Le Bail
armellebail
May 2, 2009 8:17 am
From <Lubomir.Smrcok@...> I vote for energy minization in solid state. Use your powder to get the lattice parameters, find a space group, solve the...
2374
armel.le_bail@...
armellebail
May 2, 2009 9:05 am
... The more you constrain, the less you talk. Nice rule. We need rules. But this one eliminates all protein structures from the powder diffraction field, and...
2375
L_Solovyov
May 2, 2009 10:47 am
... Nowadays scientific publications tend to be so much "talkative" that certain soft restraints and constraints on the discussion would be helpful everywhere....
2376
pstephens@...
May 3, 2009 3:10 pm
One classic example of a powder structure with vastly higher quality than a corresponding single crystal structure is C60 at low temperature. The single...
2377
Armel Le Bail
armellebail
May 5, 2009 9:20 am
Hi, ... Higher quality because the "single crystal" was not a true single crystal. Armel...
2378
Armel Le Bail
armellebail
May 5, 2009 9:31 am
Hi, Just to tell my astonishment at seeing how fast some chemists/crystallographers may react to the actuality. I have one paper online in Acta E March 6, 2009...
2380
Lachlan Cranswick
lachlan99us
May 13, 2009 1:50 am
In case some of you may have been familiar with Bob Carruthers, I have included the following obituary with permission of David Watkin (...
2381
Franz Werner
FranzWerner@...
May 14, 2009 11:10 am
Dear All Does anyone know a program that converts GSAS reflist files into Shelx-friendly hkl format? Thanks for your help. Regards Franz Werner -- Neu: GMX...
2382
Jon Wright
wright@...
May 15, 2009 12:32 pm
... ...and now this magic is available for everyone. Nice paper for anyone concerned about un-modelled impurities: J. Appl. Cryst. (2009). 42, 385-391 [...
2383
Armel Le Bail
armellebail
May 16, 2009 2:04 pm
... I don't believe in miracles. Armel...
2384
L_Solovyov
May 18, 2009 8:40 am
Dear All, A new version (1.7) of the Derivative Difference Minimization program DDM is available at: www.icct.ru/Eng/Content/Persons/Sol_LA/ddm.html mirrors: ...
2385
Murugesan S
muruges@...
Jun 3, 2009 9:36 am
Dear All, I need a crystal structure of Cu3 Si compound, kindly sent the details or any publications (e_papers). I found in JCPDF, it contains the lattice...
2386
ben messaoud fredj
ben_messaoud...
Jun 4, 2009 1:42 pm
Hi , I wonder if there is a green vanadium oxide . Thanks Ben Messaoud. F [Non-text portions of this message have been removed]...
2387
Armel Le Bail
armellebail
Jun 9, 2009 7:08 am
Hi, During those "heroic times" (before 1990 ?), many scientists were thinking that SDPD was not a serious job. It was thus sometimes difficult to convince the...
2388
Lubomir Smrcok
uachsmrk@...
Jun 9, 2009 7:12 am
Has anybody done this since then :-) lubo "The author should reexamine more critically the problem, supply more convincing arguments for justifying the choice ...
2389
Armel Le Bail
armellebail
Jun 15, 2009 1:36 pm
Hi, Probably you have several such samples in your drawers, samples that are not pure (up to 1-3 impurities or more), indexed (but is it so sure ?), and a...
2390
Armel Le Bail
armellebail
Jun 15, 2009 2:02 pm
The content of J. Appl. Cryst. 42, part 4 (August 2009 issue) is available. http://journals.iucr.org/j/issues/2009/04/00/issconts.html The paper about the...
2391
L_Solovyov
Jun 16, 2009 6:36 am
Dear Armel, When I encounter unindexed peaks I, normally, ask the chemists to repeat the synthesis at slightly different conditions. If the unindexed peaks...
2392
Armel Le Bail
armellebail
Jun 16, 2009 7:11 am
Continuing in this series of mortal comments about SDPD manuscripts. A title for this one : 3D is obsolete, use 4D. (well, maybe the reviewer is right, damn !)...
2393
Armel Le Bail
armellebail
Jun 16, 2009 7:28 am
Dear Leonid, ... You may change that opinion when approaching retirement and having interesting dirty things in your drawers ;-). Moreover, dirty structures...
2394
Lujun@EKM
jun.lu@...
Jun 16, 2009 8:04 am
Dear Armel As a young guy, in case that some minor diffractions cannot be fitted with expected structure, i prefer publish or openly document them in a local...
2395
jaap.louwen@...
jaap.louwen
Jun 16, 2009 8:18 am
Armel, one thing that occurs to me is to use a theoretical method (preferably DFT) to show that your structure make sense, especially if it is controversial....
2396
Armel Le Bail
armellebail
Jun 16, 2009 8:22 am
Dear Jun Lu, ... OK, but this situation is the consequence of an excess in the requirement that crystallography should now lead exclusively to perfect crystal...
2397
Kurt Leinenweber
KURTL@...
Jun 16, 2009 2:43 pm
HI All, As a high-pressure researcher, I have published some dirty structures and even some filthy ones. The key is to stay away from crystallographic...
2398
Armel Le Bail
armellebail
Jun 18, 2009 6:45 am
Are the COD Advisory Board members prepared to a legal action against them ? This reviewers comment received aftre the COD paper submission is a closing speech...
2399
Daniel Chateigner
daniel.chateigner@...
Jun 18, 2009 7:53 am
There is no sense of a big debate about this message, if COD is so poor, why such an agressive manner of telling it ! To scare us ? I got the use of never...
2400
Dr. Mohamed Ellouze
ellouzem
Jun 18, 2009 8:48 am
Dear Colleague, We have the pleasure ton inform you that we organize with the collaboration of Humboldt Kolleg '09 an international conference on "Advancements...
2401
L_Solovyov
Jun 19, 2009 3:14 am
People are strange… Why on earth they continue drinking free fresh water while there are 100% reliable, certified, perfectly copyrighted, protected by an...
2402
Angelo Sironi
angelo_sironi
Jun 29, 2009 5:34 am
Dear Colleagues, I am advertising one postdoctoral position dealing with the characterization of the 'structural behavior of porous MOF as a function of...
