>On Friday 29 October 2004 21:12, Miguel wrote:
>> Egon wrote:
>> > next friday I will give a talk on an Exemplarchem
>> > (http://www.exemplarchem.org) meeting of the Royal Society of Chemistry
>> > in London. The talk will be about http://www.woc.science.ru.nl/
>> > and I will spent a few slides on Jmol.
>>
>> I hope your presentation went well.
>
>Yes, think so (Henry, do you agree?) No questions on Jmol though...

Yes, I think we all need to promote the likes of  Jmol as diversely as we can.

Has anyone ever  produced a list of published articles which use/cite Jmol?

For example, Jmol (yes, at various beta levels!) has made it into about
4 "supporting information" sets we have published recently in the the
likes of various  ACS journals,  RSC journals  (and in one notorious case,
a commercial publisher who simply did not want to host a web site for
such data,  tried to divert us to the  British Library, which itself could not
do so, and the data is now in the  "Institutional open archive"). In case
anyone wants to start curating such a list at the  Jmol site, I offer the below
as our current contribution (try to guess the commercial one!)

1. H. S. Rzepa and N. Sanderson, "Aromaticity on the Edge of  Chaos: An Ab 
initio CCSD(T) study of the bimodal balance  between aromatic and non-aromatic 
structures for  10-�-Diheterocins and Heteronins", Mol. Phys,  2004, in press.

2. P. Murray-Rust, H. S. Rzepa, S. M. Tyrrell and Y. Zhang,  "Representation 
and use of Chemistry in the Global Electronic  Age", Org. Biomol. Chem., 2004, 
2, 3192 to 3203.

3. J. R. Hutchison and H. S. Rzepa, "Foliacenes: Ab initio  modelling of 
metallocomplexes exhibiting a unique form of  16-electron, metal-induced 
aromaticity", J. Amer. Chem.  Soc., 2004, 126, 14865-14870;

4. K. P. Tellmann, M. J. Humphries, H. S. Rzepa and V. C.  Gibson, "An 
experimental and computational study of ?-H  transfer between organocobalt 
complexes and 1-alkenes",  Organometallics, 2004, 23, 5503-5513.

5. P. Murray-Rust, H. S. Rzepa, M. J. Williamson and E. L.  Willighagen, 
"Chemical Markup, XML and the Worldwide Web.  Part 5. Applications of Chemical 
Metadata in RSS  Aggregators", J. Chem. Inf. Comp. Sci.,, 2004,  44, 462-469.

6. H. S. Rzepa and N. Sanderson, "Aromaticity on the Edge of  Chaos: An Ab 
initio study of the bimodal balance between  aromatic and non-aromatic 
structures for  10-�-Dihetero[8]annulenes", Phys. Chem. Chem. Phys,  2004, 6, 
310-313.

7. G. A. Asseily, R. P. Davies, H. S. Rzepa, A. J.P. White,  2004, "A 
Solid-State Structural and Theoretical Study on the  1:1 Addition Compounds of 
Thioethers with Dihalogens and  Interhalogens I-X (X = I, Br, Cl)", New J. 
Chem.,  in press.

Could we perhaps put on the  Jmol site a form which invites anyone who has used 
Jmol
in a publication (or supporting or supplemental data) to add their own?  If we 
had say a list
of  40-50 such publications, it would make a very impressive opus.

I also have a colleague who is preparing a heavy promotion of  Jmol
for the on-line version of J Chemical Education (this currently contains about
30  "interactive" articles, but none remotely touching on what  Jmol
can do for interactivity).   I strongly advocate that its through such
activities that we can

a) bring Jmol and its likes to a wider audience
b) Improve our funding abilities  by citing such activity
c) persuade  students to routinely eg incorporate  Jmol into
their own coursework, "even without being asked to",  because
its a good tool.
--

Henry Rzepa.
+44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); [EMAIL PROTECTED] 
(iChat)
 http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7  
2AZ, UK.

(Voracious anti-spam filter in operation for received email.
If expected reply not received, please phone/fax).



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