Friday, June 29, 2012

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

A simple model Hamiltonian
with just two parameters
is physically and chemically transparent
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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