Shason Shaik and collaborators have a nice article in the latest Nature Chemistry, "charge-shift" bonding which is the essential component of the bonding of pairs of very electronegative identical atoms (e.g., flourine).
The essential physics of covalent bonding can be described by a two-site Hubbard model (with U>>t).
Can a negative U (or V>U) two-site Hubbard model describe the essential physics of charge-shift bonding?
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Is it something to do with breakdown of the Born-Oppenheimer approximation? In molecular spectroscopy you occasionally hear this term thro... -
I welcome discussion on this point. I don't think it is as sensitive or as important a topic as the author order on papers. With rega...
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Nitrogen fluoride (NF) seems like a very simple molecule and you would think it would very well understood, particularly as it is small enou...
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