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submitted 8 months ago by j4k3@lemmy.world to c/asklemmy@lemmy.ml
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[-] xkforce@lemmy.world 5 points 8 months ago* (last edited 8 months ago)

Gold and Tellurium nanoparticle synthesis was the most interesting but I am not sure it qualifies as "complicated" given the procedures we used.

If computational chemistry qualifies, I have run on the order of 5,000 DFT optimizations+freq and of those, the most complicated ones involved metallocarborane clusters. These are composed of Boron, Carbon, a metal and different groups coming off the cluster. The largest one that I worked on took about a week to run the calculations on my home machine.

this post was submitted on 04 Apr 2024
69 points (92.6% liked)

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