Proton-ordered models of ordinary ice for quantum-mechanical studies

Casassa, Silvia; Ugliengo, Piero
May 1997
Journal of Chemical Physics;5/15/1997, Vol. 106 Issue 19, p8030
Academic Journal
Discusses proton-ordered models of ordinary ice for quantum-mechanical studies. Bulk properties of C- and P-ice; Models of perfect ice surfaces; Substitutional NaOH and KOH in ice; Equilibrium geometry and the lattice energy of the ferro-electric proton-ordered phase; Anti-ferro-electric hypothetical phase.


Related Articles

  • Tunnelling and zero-point motion in high-pressure ice. Benoit, Magali; Marx, Dominik; Parrinello, Michele // Nature;3/19/1998, Vol. 392 Issue 6673, p258 

    Presents research which studied the role of quantum effects in proton ordering and hydrogen-bond symmetrization within ice at high pressure. Challenge of the microscopic structure of ice; Protons in hydrogen bonds in ice; Use of high pressure to control length of hydrogen bonds; Previous...

  • Frustration.  // New Scientist;8/20/2005, Vol. 187 Issue 2513, p51 

    This article presents information on the structure of water. The structure of water is such that when it freezes, its hydrogen atoms find it impossible to settle on one particular configuration, until at absolute zero. The third law of thermodynamics stipulates that at absolute zero, any system...

  • Electromagnetism based atmospheric ice sensing technique - A conceptual review. Mughal, Umair N.; Virk, Muhammad S.; Mustafa, M. Y. // International Journal of Multiphysics;Dec2012, Vol. 6 Issue 4, p341 

    Electromagnetic and vibrational properties of ice can be used to measure certain parameters such as ice thickness, type and icing rate. In this paper we present a review of the dielectric based measurement techniques for matter and the dielectric/spectroscopic properties of ice. Atmospheric Ice...

  • Multiscale Integration in Scale Relativity Theory. Nottale, Laurent // Foundations of Science;Nov2011, Vol. 16 Issue 4, p307 

    We give a 'direction for use' of the scale relativity theory and apply it to an example of spontaneous multiscale integration including four embedded levels of organization (intracellular, cell, tissue and organism-like levels). We conclude by an update of our analysis of the arctic sea ice melting.

  • Quantum tomography of a molecular bond in ice. Golschleger, I. U.; van Staveren, M. N.; Ara Apkarian, V. // Journal of Chemical Physics;Jul2013, Vol. 139 Issue 3, p034201 

    We present the moving picture of a molecular bond, in phase-space, in real-time, at resolution limited by quantum uncertainty. The images are tomographically reconstructed Wigner distribution functions (WDF) obtained from four-wave mixing measurements on Br2-doped ice. The WDF completely...

  • Panel Meters Provide Full Signature Monitoring.  // Quality Progress;Jan2005, Vol. 38 Issue 1, p87 

    the article presents information on panel meters which provide full signature monitoring. The Promess Panel Meters (PPM) from Promess provide full signature monitoring capabilities along with user definable windows that permit monitoring of specific portions of the process rather than the entire...

  • Mixed quantum/classical approach to OH-stretch inelastic incoherent neutron scattering spectroscopy for ambient and supercooled liquid water and ice Ih. Shi, L.; Skinner, J. L. // Journal of Chemical Physics;2015, Vol. 143 Issue 1, p1 

    OH-stretch inelastic incoherent neutron scattering (IINS) has been measured to determine the vibrational density of states (VDOS) in the OH-stretch region for liquid water, supercooled water, and ice Ih, providing complementary information to IR and Raman spectroscopies about hydrogen bonding in...

  • The Schrodinger equation and spin. Boeyens, Jan C.A.; Kassman, Richard B. // South African Journal of Chemistry;Jun96, Vol. 49 Issue 1/2, p1 

    Presents an overview of the complete argument that defines spin as a non-relativistic concept. What is said about the quantum mechanical spin; What Levy-Leblond reveal about spin; Information on the Galilei group; Galilei invariance of the Schrodinger equation.

  • THE PHYSICS OF METAL CLUSTERS. Cohen, Marvin L.; Knight, Walter D. // Physics Today;Dec90, Vol. 43 Issue 12, p42 

    Describes the Thompson-like model being used for metallic clusters using electron waves and a positive `jellium,' which can be justified from first-principles quantum theory. Description of `clusters' and `microclusters'; Trend toward miniaturization; History of shell models; Metallic character;...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics