Water site headerMasthead Island, Great Barrier Reef Print-me keygo to Water Visitor Book contributions
Go to my page Water Structure and Science

Water Structure and Science References 1 - 100

  1. C. H. Cho, S. Singh and G. W. Robinson, Liquid water and biological systems: the most important problem in science that hardly anyone wants to see solved, Faraday Discuss. 103 (1996) 19-27. [Back]
  2. I. Nezbeda and J. Slovác, A family of primitive models of water: three-, four and five- site models, Mol. Phys. 90 (1997) 353-372. [Back]
  3. P. G. Kusalik and I. M. Svishchev, The spatial structure in liquid water, Science 265 (1994) 1219-1221. [Back, 2]
    (The original SPC/E reference is H. J. C. Berendsen, J. R. Grigera and T. P. Straatsma, The missing term in effective pair potentials, J. Phys. Chem. 91 (1987) 6269-6271.)
  4. P. M. Wiggins, High and low-density water in gels, Prog. Polym. Sci. 20 (1995) 1121-1163. [Back, 2, 3, 4, 5, 6]
  5. Q. Liu and J. W. Brady, Anisotropic solvent structuring in aqueous sugar solutions, J. Am. Chem. Soc. 118 (1996) 12276-12286. [Back, 2]
  6. S. Mashimo, Structure of water in pure liquid and biosystem, J. Non-Cryst. Solids 172-174 (1994) 1117-1120. [Back, 2]
  7. I. M. Svishchev and P. G. Kusalik, Structure in liquid water - a study of spatial-distribution functions, J. Chem. Phys. 99 (1993) 3049-3058. [Back, 2]
  8. D. Eisenberg and W. Kauzmann, The structure and properties of water (Oxford University Press, London, 1969); (b) The dodecahedral interstitial model is described in L. Pauling, The structure of water, In Hydrogen bonding, Ed. D. Hadzi and H. W. Thompson (Pergamon Press Ltd, London, 1959) pp. 1-6. [Back, 2, 3, 4, 5, 6, 7, 8, 9]
  9. A. H. Narten, M. D. Danford and H. A. Levy, X-Ray diffraction study of liquid water in the temperature range 4-200 °C, Faraday Discuss. 43 (1967) 97-107. [Back, 2]
  10. T. Iijima and K. Nishikawa, Structure model of liquid water as investigated by the method of reciprocal space expansion, J. Chem. Phys. 101 (1994) 5017-5023. [Back]
  11. H. E. Stanley and J. Teixeira, Interpretation of the unusual behavior of H2O and D2O at low temperature: tests of a percolation model, J. Chem. Phys. 73 (1980) 3404-3422. [Back, 2]
  12. R. J. Speedy, Waterlike anomalies from repulsive interactions, J. Chem. Phys. 107 (1997) 3222-3229. [Back]
  13. C. H. Cho, S. Singh and G. W. Robinson, Understanding all of water's anomalies with a nonlocal potential, J. Chem. Phys. 107 (1997) 7979-7988. [Back, 2]
  14. H. Tanaka, Simple physical explanation of the unusual thermodynamic behavior of liquid water, Phys. Rev. Lett. 80 (1998) 5750-5753. [Back, 2]
  15. R. C. Dougherty and L. N. Howard, Equilibrium structural model of liquid water: Evidence from heat capacity, spectra, density, and other properties, J. Chem. Phys. 109 (1998) 7379-7393. [Back, 2, 3, 4]
  16. O. Mishima and H. E. Stanley, The relationship between liquid, supercooled and glassy water, Nature 396 (1998) 329-335. [Back, 2, 3, 4, 5]
  17. J. C. Dore, Structural studies of water and other hydrogen-bonded liquids by neutron diffraction, J. Mol. Structure 250 (1991) 193-211. [Back, 2]
  18. W. A. P. Luck, Water in biological systems, Top. Curr. Chem. 64 (1976) 114-180. [Back, 2, 3]
  19. P. Boutron and A. Alben, Structural model for amorphous solid water, J. Chem. Phys. 62 (1975) 4848-4853. [Back, 2]
  20. J. C. Dore, Hydrogen-bond networks in supercooled liquid water and amorphous vitreous ices, J. Mol. Struct. 237 (1990) 221-232. [Back, 2]
  21. E. Whalley, D. D. Klug and Y. P. Handa, Entropy of amorphous ice, Nature 342 (1989) 782-783. [Back, 2]
  22. B. Kamb, Ice polymorphism and the structure of water, in Structural Chemistry and Molecular Biology, ed. A. Rich and N. Davidson (W. H. Freeman, San Francisco, 1968) pp. 507-542. [Back]
  23. (a) G. W. Robinson, C. H. Cho and J. Urquidi, isosbestic points in liquid water: Further strong evidence for the two-state mixture model, J. Chem. Phys. 111 (1999) 698-702. ( b) J. Urquidi, G. W. Robinson, C. H. Cho, B. Xiao and S. Singh, Explicit Outer Bonding Transformations in Liquid Water. The Key to its Understanding, ECCC-5 (1998) [Back, 2, 3, 4 ]
  24. L. S. Bartell, On possible interpretations of the anomalous properties of supercooled water, J. Phys. Chem. 101 (1997) 7573-7583. [Back, 2]
  25. M. Campolat, F. W. Starr, A. Scala, M. R. Sadr-Lahijany, O. Mishima, S. Havlin and H. E. Stanley, Local structural heterogeneities in liquid water under pressure, Chem. Phys. Lett. 294 (1998) 9-12. [Back, 2] [Back to Top to top of page]
  26. F. Sobott, A. Wattenberg, H. D. Barth and B. Brutschy, Ionic clathrates from aqueous solutions detected with laser induced liquid beam ionization/desorption mass spectrometry, Int. J. Mass Spectrom. 185-7 (1999) 271-279. [Back, 2]
  27. G. Graziano, On the size dependence of hydrophobic hydration, J. Chem. Soc. Faraday Trans. 94 (1998) 3345-3352. [Back, 2]
  28. E. A. Steel, K. M. Merz, A. Selinger and A. W. Castleman, Mass-spectral and computational free-energy studies of alkali-metal ion-containing water clusters, J. Phys. Chem. 99 (1995) 7829-7836. [Back]
  29. P. M. Wiggins, Hydrophobic hydration, hydrophobic forces and protein folding, Physica A 238 (1997) 113-128. [Back, 2, 3]
  30. S. R. Elliott, Interpretation of the principal diffraction peak of liquid and amorphous water, J. Chem. Phys. 103 (1995) 2758-2761. [Back, 2, 3]
  31. H. Tanaka, Cavity distribution in liquid water and hydrophobic hydration, Chem. Phys. Lett. 282 (1998) 133-138. [Back, 2]
  32. L. J. Barbour, G. W. Orr and J. L. Atwood, An intermolecular (H2O)10 cluster in a solid-state supramolecular complex, Nature 393 (1998) 671-673; M. Yoshizawa, T. Kusukawa, M. Kawano, T. Ohhara, I. Tanaka, K. Kurihara, N. Niimura, and M. Fujita, Endohedral clusterization of ten water molecules into a "Molecular Ice" within the hydrophobic pocket of a self-assembled cage, J. Am. Chem. Soc. 127 (2005) 2798-2799. [Back]
  33. H. Tanaka, Fluctuation of local order and connectivity of water molecules in two phases of supercooled water, Phys. Rev. Lett. 80 (1998) 113-116. [Back]
  34. O. Mishima, L. D. Calvert and E. Whalley, An apparently first-order transition between two amorphous phases of ice induced by pressure, Nature 314 (1985) 76-78. [Back, 2]
  35. A. H. Narten, W. E. Thiessen and L. Blum, Atom pair distribution functions of liquid water at 25 °C from neutron diffraction, Science 217 (1982) 1033-1034. [Back]
  36. A. A. Chialvo, P. T. Cummings, J. M. Simonson, R. E. Mesmer and H. D. Cochran, Interplay between molecular simulation and neutron scattering in developing new insights into the structure of water, Ind. Eng. Chem. Res. 37 (1998) 3021-3025. [Back]
  37. A. K. Soper and M. G. Phillips, A new determination of the structure of water at 25 °C, Chem. Phys. 107 (1986) 47-60. [Back]
  38. A. Geiger, P. Mausbach and J. Schnitker, Water and Aqueous Solutions (Hilger, Bristol, 1986) p. 15. [Back]
  39. J. Turner, A. K. Soper and J. L. Finney, A neutron-diffraction study of tetramethylammonium chloride in aqueous solution, Mol. Phys. 70 (1990) 679-700. [Back]
  40. R. Leberman and A. K. Soper, Effect of high-salt concentrations on water-structure, Nature, 378 (1995) 364-366. [Back, 2]
  41. J. C. Li and P. Jenniskens, Inelastic neutron scattering study of high density amorphous water ice, Planet. Space Sci. 45 (1997) 469-473. [Back]
  42. M. R. Chowdhury, J. C. Dore and D. G. Montague, Neutron diffraction studies and CRN model of amorphous ice, J. Phys. Chem. 87 (1983) 4037-4039. [Back]
  43. (a) A. Bizid, L. Bosio, L. Defrain and M. Oumezzine, Structure of high-density amorphous water. 1. X-ray diffraction study., J. Chem. Phys. 87 (1987) 2225-2230. (b) M. C. Bellissent-Funel, J. Teixeira and L. Bosio, Structure of high-density amorphous water. II Neutron scattering study, J. Chem. Phys. 87 (1987) 2231-2235. [Back]
  44. M. C. Bellissent-Funel, Is there a liquid-liquid phase transition in supercooled water?, Europhys. Lett. 42 (1998) 161-166. [Back]
  45. H. E. Stanley, S. V. Budyrev, O. Mishima, M. R. Sadr-Lahijany, A. Scala and F. W. Starr, Unsolved mysteries of water in its liquid and glassy phases, J. Phys.: Condens. Matter 12 (2000) A403-A412x. [Back, 2]
  46. C. G. Venkatesh, S. A. Rice and J. B. Bates, A Raman spectral study of amorphous solid water, J. Chem. Phys. 63 (1975) 1065-1071. [Back]
  47. G. E. Walrafen and Y. C. Chu, Shear viscosity and self-diffusion evidence for high- concentrations of hydrogen-bonded clathrate-like structures in very highly supercooled liquid water, J. Phys. Chem. 99 (1995) 10635-10643. [Back]
  48. W. B. Bosma, L. E. Fried and S. Mukamel, Simulation of the intermolecular vibrational spectra of liquid water and water clusters, J. Chem. Phys. 98 (1993) 4413-4421. [Back]
  49. R. B. Krone, Structures of water derived from its viscosity, Chem. Eng. Commun. 128 (1994) 1-17. [Back]
  50. L. Bosio, S-H. Chen and J. Teixeira, Isochoric temperature differential of the x-ray structure factor and structural rearrangements in low-temperature heavy water, Phys. Rev. A: At., Mol., Opt. Phys. 27 (1983) 1468-1475. [Back, 2] [Back to Top to top of page]
  51. A. V. Okhulkov, Yu. N. Demianets and Yu. E. Gorbaty, X-ray-scattering in liquid water at pressures of up to 7.7 kbar - test of a fluctuation model, J. Chem. Phys. 100 (1994) 1578-1588. [Back, 2 , 3]
  52. D. T. Warner, Some possible relationships of carbohydrates and other biological components with the water structure at 37°, Nature, 196 (1962) 1055-1058. [Back]
  53. (a) H. E. Stanley, S. V. Budyrev, M. Canpolat, M. Meyer, O. Mishima, M. R. Sadr-Lahijany, A. Scala and F. W. Starr, The puzzling statistical physics of liquid water, Physica A 257 (1998) 213-232. (b) H. E. Stanley, P. Kumar, L. Xu, Z. Yan, M. G. Mazza, S. V. Buldyrev, S.-H. Chen and F. Mallamace, The puzzling unsolved mysteries of liquid water: Some recent progress, Physica A 386 (2007) 729-743. [Back, 2]
  54. H. E. Stanley, S. V. Budyrev, M. Canpolat, S. Havlin, O. Mishima, M. R. Sadr-Lahijany, A. Scala and F. W. Starr, The puzzle of liquid water: a very complex fluid, Physica D 133 (1999) 453-462.  [Back]
  55. M. F. Chaplin, A proposal for the structuring of water, Biophys. Chem. 83 (2000) 211-221. [Back, 2, 3]
  56. J. Urquidi, S. Singh, C. H. Cho and G. W. Robinson, Origin of temperature and pressure effects on the radial distribution function of water, Phys. Rev. Lett. 83 (1999) 2348-2350. [Back, 2, 3]
  57. J. Urquidi, S. Singh, C. H. Cho and G. W. Robinson, Temperature and pressure effects on the structure of liquid water, J. Mol. Structure 485-486 (1999) 363-371. [Back, 2]
  58. A. H. Narten and H. A. Levy, Liquid water: scattering of X-rays, in Water A Comprehensive Treatise, Vol. 1, Ed. F. Franks, (Plenum Press, New York, 1972) pp. 311-332. [Back]
  59. K. Hermansson, A simulated X-ray diffraction study of liquid water: beyond the spherical-atom approximation, Chem. Phys. Lett. 260 (1996) 229-235. [Back]
  60. C. H. Cho, J. Urquidi, G. I. Gellene and G. W. Robinson, Mixture model description of the T-, P dependence of the refractive index of water, J. Chem. Phys. 114 (2001) 3157-3162. A. H. Harvey, Comment on "Mixture model description of the T-, P dependence of the refractive index of water" [J. Chem. Phys. 114 (2001) 3157], J. Chem. Phys. 115 (2001) 7795. C. H. Cho, J. Urquidi and G. I. Gellene, Response to "Comment on 'Mixture model description of the T-, P dependence of the refractive index of water" [J. Chem. Phys. 114 (2001) 3157], J. Chem. Phys. 115 (2001) 7796-7797. [Back, 2]
  61. K. N. Marsh (Ed), Recommended Reference Materials for the Realization of Physicochemical Properties, (Blackwell, Oxford, 1987). [Back]
  62. H. G. Hertz, in Water A comprehensive treatise, Vol 3, Ed. F. Franks, (Plenum Press, New York, 1973) p. 301. [Back]
  63. J. N. Murrell, A. D. Jenkins, Properties of Liquids and solutions, 2nd Ed. (John Wiley & Sons, Chichester, England, 1994). [Back, 2]
  64. J. B. Hasted, Liquid water: Dielectric properties, in Water A comprehensive treatise, Vol 1, Ed. F. Franks (Plenum Press, New York, 1972) pp. 255-309. [Back, 2]
  65. F. Franks, Introduction - water, the unique chemical, in Water A comprehensive treatise, Vol. 1, Ed. F. Franks (Plenum Press, New York, 1972) pp. 1-20. [Back]
  66. P. Jedlovszky, M. Mezei and R Vallauri, A molecular level explanation of the density maximum of liquid water from computer simulations with a polarizable potential model, Chem. Phys. Lett. 318 (2000) 155-160. [Back, 2]
  67. National Institute of Standards and Technology, A gateway to the data collections. Available at http://webbook.nist.gov (accessed 19 January 2001). [Back, 2, 3, 4]
  68. G. S. Kell, Density, thermal expansivity, and compressibility of liquid water from 0° to 150 °C: Correlations and tables for atmospheric pressure and saturation reviewed and expressed on 1968 temperature scale, J. Chem. Eng. Data 20(1) (1975) 97-105. [Back, 2]
  69. C. H. Cho, J. Urquidi and G. Wilse Robinson, Molecular-level description of temperature and pressure effects on the viscosity of water, J. Chem. Phys. 111 (1999) 10171-10176. [Back,2]
  70. D. R. Lide Ed., CRC Handbook of chemistry and physics, 80th Ed. (CRC Press, Boca Raton, 1999). Some data were obtained from the 57th Ed, R. C. Weast (1976). [Back, 2, 3, 4, 5, 6]
  71. C. W. Kern, M. Karplus, The water molecule, in Water A comprehensive treatise, Vol. 1, Ed. F. Franks (Plenum Press, New York, 1972) pp. 21-91. [Back]
  72. M. P. Hodges and D. J. Wales, Global minima of protonated water clusters, Chem. Phys. Lett. 324 (2000) 279-288. [Back]
  73. C. H. Cho, J. Urquidi, S,. Singh and G. Wilse Robinson, Thermal offset viscosities of liquid H2O, D2O, and T2O, J. Phys. Chem. B 103 (1999) 1991-1994. [Back, 2a, 2b, 3]
  74. R. S. Smith and B. D. Kay, The existence of supercooled liquid water at 150 K, Nature 398 (1999) 788-791.  [Back, 2]
  75. G. P. Johari, A. Hallbrucker and E. Mayer, Two calorimetrically distinct states of liquid water below 150 Kelvin, Science 273 (1996) 90-92. [Back] [Back to Top to top of page]
  76. E. Tombari, C. Ferrari and G. Salvetti, Heat capacity anomaly in a large sample of supercooled water, Chem. Phys. Lett. 300 (1999) 749-751. [Back]
  77. W. A. P. Luck, The importance of cooperativity for the properties of liquid water, J. Mol. Structure 448 (1998) 131-142. [Back]
  78. W. A. P. Luck, D. Klein, K. Rangsriwatananon, Anti-cooperativity of the two water OH groups, J. Mol. Struct. 416 (1997) 287-296. [Back]
  79. D. Peeters, Hydrogen bonds in small water clusters: A theoretical point of view, J. Mol. Liq. 67 (1995) 49-61. [Back]
  80. H. Suga, A facet of recent ice sciences, Thermochim. Acta, 300 (1997) 117-126. [Back]
  81. W. B. Holzapfel, Evasive ice X and heavy fermion ice XII: facts and fiction about high-pressure ices, Physica B 265 (1999) 113-120. [Back]
  82. C. Lobban, J. L. Finney, W. F. Kuhs, The structure of a new phase of ice, Nature 391 (1998) 268-270. [Back, 2]
  83. K. Vonnegut, Cat's Cradle, (Penguin, London, 1963) p. 34. [Back , 2]
  84. M. Benoit, M. Bernasconi and M. Parrinelio, New high-pressure phase of ice, Phys. Rev. Lett.76 (1996) 2934-2936. [Back]
  85. F. Hofmeister, Zur Lehre von der Wirkung der Salze, Arch. Exp. Pathol. Pharmakol. (Leipzig) 24 (1888) 247-260; translated in W. Kunz, J. Henle and B. W. Ninham, ' Zur Lehre von der Wirkung der Salze' (about the science of the effect of salts: Franz Hofmeister's historical papers, Curr. Opin. Colloid Interface Sci. 9 (2004) 19-37. [Back]
  86. H. Tanaka, Simple physical model of liquid water, J. Chem. Phys. 112 (2000) 799-809. [Back, 2]
  87. A. K. Covington, M. I. A. Ferra and R. A. Robinson, Ionic product and enthalpy of ionization of water from electromotive force measurements, J. Chem. Soc. Faraday Trans. I 73 (1977) 1721-1730. [Back]
  88. H. Preston-Thomas, International temperature scale of 1990, Metrologia 27 (1990) 3-10. [Back]
  89. I. L. Cameron, K. M. Kanal, C. R. Keener and G. D. Fullerton, A mechanistic view of the non-ideal osmotic and motional behavior of intracellular water, Cell Biol. Int. 21 (1997) 99-113. [Back, 2, 3]
  90. P. L. Silvestrelli and M. Parrinello, Structural, electronic, and bonding properties of liquid water from first principles, J. Chem. Phys., 111 (1999) 3572-3580. [Back, 2, 3]
  91. K. Ichikawa, Y. Kameda, T. Yamaguchi, H. Wakita and M. Misawa, Neutron-diffraction investigation of the intramolecular structure of a water molecule in the liquid-phase at high-temperatures, Mol. Phys. 73 (1991) 79-86. [Back, 2]
  92. P. Jedlovszky, Voronoi polyhedra analysis of the local structure of water from ambient to supercritical conditions, J. Chem. Phys. 111 (1999) 5975-5985. [Back]
  93. P. Jedlovszky and J. Richardi, Comparison of different water models from ambient to supercritical conditions: A Monte Carlo simulation and molecular Ornstein-Zernike, J. Chem. Phys. 110 (1999) 8019-8031. [Back]
  94. G. W. Robinson, S. -B. Zhu, S. Singh, and M. W. Evans, Water in Biology, Chemistry and Physics: Experimental Overviews and Computational Methodologies, (World Scientific, Singapore, 1996). [Back, 2, 3, 4, 5]
    (The original SPC reference is H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren and J. Hermans, in B. Pullman (ed.), Intermolecular Forces (Reidel, Dordrecht, 1981) p331.)
  95. A. Eisenstein and N. S. Gingrich, The diffraction of X-Rays by argon in the liquid, vapor, and critical regions, Phys. Rev. 62 (1942) 261-270. [Back]
  96. E. D. Isaacs, A. Shukla, P. M. Platzman, D. R. Hamann, B. Barbiellini and C. A. Tulk, Compton scattering evidence for covalency of the hydrogen bond in ice, J. Phys. Chem. Solids 61 (2000) 403-406. [Back]
  97. (a) H. S. Frank and W.-Y. Wen, Ion-solvent interaction. Structural aspects of ion-solvent interaction in aqueous solutions: a suggested picture of water structure, Disc. Faraday Soc. 24 (1957) 133-140; Solid clathrtes of the tetramethylammonium ion have also been described ;(b) D. Mootz and R. Seidel, Polyhedral clathrate hydrates of a strong base: phase relations of crystal structures in the system tetramethylammonium hydroxide-water. J. Inclusion Phenom. 8 (1990) 139-157.[Back, 2, 3]
  98. M. I. Heggie, C. D. Latham, S. C. P. Maynard and R. Jones, Cooperative polarisation in ice Ih and the unusual strength of the hydrogen bond, Chem. Phys. Lett. 249 (1996) 485-490. [Back]
  99. L. Pauling, The Nature of the Chemical Bond, 2nd ed. (Cornell University Press, New York, 1948). [Back, 2, 3]
  100. C. N. R. Rao, Theory of hydrogen bonding in water, in Water A comprehensive treatise, Vol. 1, Ed. F. Franks (Plenum Press, New York, 1972) pp. 93-114. [Back] [Back to Top to top of page]




Home | Site Index | Site Map | Search | LSBU | Top


This page was established in 2000 and last updated by Martin Chaplin on 15 August, 2017

Creative Commons License
This work is licensed under a Creative Commons Attribution
-Noncommercial-No Derivative Works 2.0 UK: England & Wales License