Anyway, armed with my copy of Molecular Modeling for Beginners ( you probably think I should have bought that a long time ago, like before I started getting interested in molecular modeling, but I always jump first and ask questions later) I started getting into some programs used at my school, like HyperChem. The first thing I modeled was formaldehyde and then jumped to adamantane. Here's the short version:
Starting small by laying down six carbon atoms for what I like to call the bottom.
connecting them together...
working my way up...
almost there...
added the hydrogen atoms by selecting Add Hydrogens. Oh man. Did I do something wrong here? I once had the bottom of a box of spaghetti give out and the result looked a lot like this. I figured I had nothing to lose, so I optimized the geometry using RHF and the 6-31G* basis set.
Ta-Da! What were you worried about?
MTF
No comments:
Post a Comment