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.
Computational screening of metalloporphyrin catalysts for the activation of
carbon dioxide
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Molecular Catalysis 2024, in press Electrocatalytic CO2 reduction (eCO2R)
to value-added chemicals offers a promising route for carbon capture and
utilizat...
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