I took a second quick look at cellobiose.
I was wondering if you could see the hydrogen bond (in the center) in the MO scheme. So I checked out the orbitals with a large coefficient at that hydrogen and found two with a strongly bonding interaction. MO 41:
MO 54:
The 53rd MO doesn't fit in (it has even an antibonding interaction) but it looks kind of cool.
Ok, that's it I have to be studying these days. There are a few exams in the coming last two weeks of our semester that I want to take. A last outlook into different fields before it all comes down to theoretical chemistry next year. I finally have to say that thermal engineering is kind of cool with all its balances. As long as you don't actually have to build the machines.
Cyclobutanone Prediction Challenge
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How well can nonadiabatic dynamics forecast an experiment? In brief: The
philosopher of science Imre Lakatos proposed that we should judge a
research progr...
2 days ago
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