On 30/09/13 04:36, Geoffrey Hutchison wrote: > As for the "common molecules" question. I've been thinking hard about > this exact problem for some time. Let's just say the biggest problem > is generating a list of common molecules. If people would like to > suggest how to come up with say 100 or 1,000 or 10,000 molecules for > teaching use .. I think the University of Pittsburgh will gladly > donate the CPU time using MOPAC and/or NWChem. So my big question (to > the community).. how do we generate such a list and/or take genuine > requests?
I live in the UK, and there are a number of molecules that crop up again and again on 'A' level teaching specifications. 'A' level in the UK, is as far as I know, quite similar to your 'AP' levels. I don't know how the UK specifications compare to those in the States, but I can't see them being much different. Most are just small alkanes, alkenes, alkynes and benzene rings. Tim ------------------------------------------------------------------------------ October Webinars: Code for Performance Free Intel webinars can help you accelerate application performance. Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from the latest Intel processors and coprocessors. See abstracts and register > http://pubads.g.doubleclick.net/gampad/clk?id=60133471&iu=/4140/ostg.clktrk _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
