Tuesday, July 22, 2008

hang on- I lost the results for the adamantane mechanosynthesis run

I guess I didn't back up that run. I (with lots of help from Damian and Brian) did the simulation for the setup in the previous post months ago with NanoHive-1 using the AIREBO forcefield. I thought I would post that picture and then the simulation results the next day, but I don't have the results anymore and obviously didn't check before posting that. If you are dying to know, the adamantane molecules are too small: two of the open carbon atoms bond to each other before they reach the workspace. I understand this is referred to as internal cyclization.

I might try to redo this simulation to show what happens, but I'm still holding out hope that we may get the band back together on this project, so don't want to post too much just yet.

Also I'm having some trouble making POV-Ray movies with NanoHive which are what I will want to post and not just screen captures.

Please stand by.

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