The origin of absolute and differential phase transition shifts of ionization energies of water is investigated by means of perturbation theory, supermolecular models and perturbational model calculations including results from molecular dynamics simulations. Applications are presented for ionization energy shifts following the phase transitions: water vapour-cubic iceliquid water.
ORIGIN OF PHASE-TRANSITION SHIFTS OF IONIZATION ENERGIES IN WATER
CARRAVETTA V
1985
Abstract
The origin of absolute and differential phase transition shifts of ionization energies of water is investigated by means of perturbation theory, supermolecular models and perturbational model calculations including results from molecular dynamics simulations. Applications are presented for ionization energy shifts following the phase transitions: water vapour-cubic iceliquid water.File in questo prodotto:
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