Abstract
The origin of absolute and differential phase transition shifts of ionization energies of water is investigated by means of perturbation theory, super-molecular 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 ice-liquid water.
| Original language | English |
|---|---|
| Pages (from-to) | 901-922 |
| Number of pages | 22 |
| Journal | Molecular Physics |
| Volume | 55 |
| Issue number | 4 |
| DOIs | |
| State | Published - Jul 1985 |
| Externally published | Yes |
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