Hydrogen bonds are at the origin of many special properties of water and ice. In this talk I will show how simple theoretical models and extensive ab-initio molecular dynamics simulations give insight on the structure and dynamics of the H-bond network. I will focus, in particular, on the dielectric properties that make water a very special solvent, and on the molecular origin of the hydrophobic effect, which is crucial to biophysics.
Back to Electronic Structure in Chemistry I
Back to The 37th Middle Atlantic Regional Meeting (May 22-25, 2005)