Neutron diffraction measurements on water at T = 523 K are presented. The comparison with room temperature data shows an evident weakening of the tetrahedral coordination. This effect has been accurately simulated by an ensemble of polarizable water molecules, interacting via the NEMO (Non Empirical Molecular Orbital) potential model.
Buontempo, U., Postorino, P., Ricci, M.A., Soper, A.K. (1992). Neutron Diffraction Study of Water at high Temperature. EUROPHYSICS LETTERS, 19, 385 [10.1209/0295-5075/19/5/007].
Neutron Diffraction Study of Water at high Temperature
RICCI, Maria Antonietta;
1992-01-01
Abstract
Neutron diffraction measurements on water at T = 523 K are presented. The comparison with room temperature data shows an evident weakening of the tetrahedral coordination. This effect has been accurately simulated by an ensemble of polarizable water molecules, interacting via the NEMO (Non Empirical Molecular Orbital) potential model.File in questo prodotto:
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