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Water Molecule Dipole in the Gas and in the Liquid Phase

✍ Scribed by Silvestrelli, Pier Luigi; Parrinello, Michele


Book ID
121005948
Publisher
The American Physical Society
Year
1999
Tongue
English
Weight
121 KB
Volume
82
Category
Article
ISSN
0031-9007

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πŸ“œ SIMILAR VOLUMES


Dipole moment of the water molecule in t
✍ C. Gatti; B. Silvi; F. Colonna πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 415 KB

The effective dipole moment of the water molecule in the condensed phase has been evaluated from the periodic Hartree-Fock wavefunctions of ice VIII and prototype structures by integrating the dipole moment function over atomic basins. The calculated values appear to be rather sensitive to the struc