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?