Nature and stability of ice X

References

• Holzapfel , W. B. 1997 . On the symmetry of the hydrogen bonds in ice VII . J. Chem. Phys. , 56 : 712 – 715 .
   Google Scholar
• Song , M. , Yamawaki , H. , Fujihisa , H. , Sakashita , M. and Aoki , K. 1999 . Infrared absorption study of Fermi resonance and hydrogen-bond symmetrization of ice up to 141 GPa . Phys. Rev. B. , 60 : 12644 – 12650 .
   Web of Science ®Google Scholar
• Goncharov , A. F. , Struzhkin , V. V. , Somayazulu , M. S. , Hemley , R. J. and Mao , H. K. 1996 . Compression of ice to 210 gigapascals: infrared evidence for a symmetric hydrogen-bonded phase . Science , 273 : 218 – 220 .
   PubMed Web of Science ®Google Scholar
• Sugimura , E. , Iitaka , T. , Hirose , K. , Kawamura , K. , Sata , N. and Yasuo , Ohishi . 2008 . Compression of H2O ice to 126 GPa and implications for hydrogen-bond symmetrization: Synchrotron x-ray diffraction measurements and density-functional calculations . Phys. Rev. B , 77 : 214103-1 – 6 .
   Google Scholar
• Loybeyre , P. , LeToullec , R. , Wolanin , E. , Hanfland , M. and Hausermann , D. 1999 . Modulated phases and proton centring in ice observed by X-ray diffraction up to 170 GPa . Nature , 397 : 503 – 506 .
   Google Scholar
• Benoit , M. and Marx , D. 2005 . The shapes of protons in hydrogen bonds depend on the bond length . Chem. Phys. Chem. , 6 : 1738 – 1741 .
   Web of Science ®Google Scholar
• Becke , A. D. and Edgecombe , K. E. 1990 . A simple measure of electron localization in atomic and molecular systems . J. Chem. Phys. , 92 : 5397 – 5403 .
   Web of Science ®Google Scholar
• Silvi , B. and Savin , A. 1994 . Classification of chemical bonds based on topological analysis of electron localization functions . Nature , 371 : 683 – 686 .
   Web of Science ®Google Scholar
• Bader , R. F.W. 1990 . Atoms in Molecules , Oxford : Oxford University Press .
   Google Scholar
• QUANTUM-ESPRESSO, software available at http://www.quantum-espresso.org
   Google Scholar
• Perdew , J. P. , Burke , K. and Ernzerhof , M. 1996 . Generalized gradient approximation made simple . Phys. Rev. Lett. , 77 : 3865 – 3868 .
   PubMed Web of Science ®Google Scholar
• Vanderbilt , D. 1990 . Soft self-consistent pseudopotentials in a generalized eigenvalue formalism . Phys. Rev. B , 41 : 7892 – 7895 .
   PubMed Web of Science ®Google Scholar
• Troullier , N. and Martins , J. L. 1991 . Efficient pseudopotentials for plane-wave calculations . Phys. Rev. B , 43 : 1993 – 2006 .
   PubMed Web of Science ®Google Scholar
• Monkhorst , H. J. and Pack , J. D. 1976 . Special points for Brillouin-zone integrations . Phys. Rev. B , 13 : 5188 – 5192 .
   Web of Science ®Google Scholar
• Contreras-García , J. , Martín Pendás , A. , Silvi , B. and Recio , J. M. 2008 . Useful applications of the electron localization function in high-pressure crystal chemistry . J. Solid State Physics , 69 : 2204 – 2207 .
   Google Scholar
• Blaha , P. , Schwarz , K. , Madsen , G. K.H. , Kvasnicka , D. and Luitz , J. 2001 . WIEN2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties , Vienna, , Austria : Vienna University of Technology .
   Google Scholar
• Saunders , V. R. , Dovesi , R. , Roetti , C. , Causá , M. , Harrison , N. M. , Orlando , R. and Zicovich-Wilson , C. M. 1998 . CRYSTAL98 User's Manual , Torino : University of Torino .
   Google Scholar
• Benoit , M. , Bernasconi , M. , Focher , P. and Parrinello , M. 1996 . New high-pressure phase of ice . Phys. Rev. Lett. , 76 : 2934 – 2936 .
   PubMed Web of Science ®Google Scholar
• Fuster , F. and Silvi , B. 2000 . Does the topological approach characterize the hydrogen bond . Theor. Chem. Acc. , 104 : 13 – 21 .
   Web of Science ®Google Scholar