Dear sir: I don't know whether it can be use Avogadro to predictive molecular structure. for example, I saw this paper: Laser Ablation Synthesis of Gold Selenides by using a Mass Spectrometer as a Synthesizer: Laser Desorption Ionization Time‐of‐Flight Mass Spectrometry. In this paper, the author give molecular AuSe3, and then got five different possible structures, and calculated local minima for bonding energe. finally, got molecular structure.
So, I want to ask can Avogadro doing job like this? Best wishes, Fei ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Avogadro-devel mailing list Avogadro-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-devel
