1

In fact, yes. It can be explained by a HOMO-LUMO interaction. I am currently running NBO (natural bond orbital) computations for a theoretical study of hydrogen bonds in some models. And NBO interprets hydrogen bond as the donation of electrons from the lone pair (non-bonding electrons) of the hydrogen acceptor to the (LUMO) antibonding orbital of the ...


Only top voted, non community-wiki answers of a minimum length are eligible