Talk on hydrogen bonding
Tomorrow I am giving a talk A unified picture of hydrogen bonding and proton transfer via a two state Hamiltonian.
It is based on this paper. The main point is
It is based on this paper. The main point is
A simple model Hamiltonian
•with
just two parameters
•is
physically and chemically transparent
gives
•a
unified picture of different types of H-bonds and of proton transfer
•insight
into the H-bond puzzle
• a
semi-quantitative description of empirical correlations between bond lengths,
binding energies, vibrational frequencies….
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