References
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70. N.M. Sergeev, N.D. Sergeyeva, Proton exchange in solutions of water in nitromethane and
dioxane. Phys. Chem. Chem. Phys. 4, 2994–2999 (2002)
71. T.R. Dyke, K.M. Mack, J.S. Muenter, The structure of water dimer from molecular beam
electric resonance spectroscopy. J. Chem. Phys. 66, 498–510 (1977)
72. V.G. Artemov, A.A. Volkov, N.N. Sysoev, A. A. Volkov Jr., On autoionization and pH of
liquid water. Doklady Phys. 61, 1–4 (2016)
73. A. Hassanali, M.K. Prakash, H. Eshet, M. Parrinello, On the recombination of hydronium and
hydroxide ions in water. PNAS 108, 20410–5 (2011)
74. K. Itagaki, Self-diffusion in single crystals of ice. J. Phys. Soc. Jpn. 19, 1081–1081 (1964)
75. J.H. Wang, Self-diffusion and structure of liquid water. I. measurement of self-diffusion of
liquid water with deuterium as tracer. J. Am. Chem. Soc. 73, 510–513 (1951)
76. K. Kreuer, Proton conductivity: materials and applications. Chem. Mater. 8, 610–641 (1996)
77. P.L. Geissler, C. Dellago, D. Chandler, J. Hutter, M. Parrinello, Autoionization in liquid water.
Science 291, 2121–2124 (2001)
78. K.J. Tielrooij, R.L.A. Timmer, H.J. Bakker, M. Bonn, Structure dynamics of the proton in
liquid water probed with terahertz time-domain spectroscopy. Phys. Rev. Lett. 102 (2009)
79. B. Halle, G. Karlstrom, Prototropic charge migration in water. J. Chem. Soc. Faraday Trans.
79, 1031–1046 (1983)
80. M. Beé, Quasielastic Neutron Scattering (Adam Hilger, Bristol, 1988)
81. D.I. Page, J.G. Powles, The correlation of molecular orientation in liquid water by neutron
and x-ray scattering. Mol. Phys. 21, 901–926 (1971)
82. J.G. Powles, J.C. Dore, D.I. Page, Coherent neutron scattering by light water (H 2 O) and a
light-heavy water mixture (64 per cent H 2 O/36 per cent D 2 O). Mol. Phys. 24, 1025–1037
(1972)
83. K.S. Singwi, A. Sjölander, Diffusive motions in water and cold neutron scattering. Phys. Rev.
119, 863–871 (1960)
84. S.M. Iskanderov, A.G. Novikov, Investigation of the rotational diffusion of water molecules.
Russ. J. Phys Chem. T. LVI 10, 2396–2404 (1982). [in Russian]
85. G.G. Malenkov, Structure and dynamics of liquid water. J. Struct. Chem. 47, 1–31 (2006)
86. V.S. Oskotsky, On the theory of quasi-elastic scattering of cold neutrons in a liquid. Phys.
Condens. Matter. 5, 1082 (1963). [in Russian]
87. J.A. Barker, R.O. Watts, Structure of water; A Monte Carlo calculation. Chem. Phys. Lett. 3,
144–145 (1969)
88. A. Rahman, F.H. Stillinger, Molecular dynamics study of liquid water. J. Chem. Phys. 55,
3336–3359 (1971)
89. A. Wallqvist, R.D. Mountain, Molecular models of water: derivation and description, in
Reviews in Computational Chemistry, vol. 13, eds by K.B. Lipkowitz, D.B. Boyd (Wiley,
Hoboken, NJ, USA, 2007)
90. S. Kale, J. Herzfeld, Natural polarizability and flexibility via explicit valency: the case of
water. J. Chem. Phys. 136, 084109–084118 (2012)
91. W. Kohn, L.J. Sham, Self-consistent equations including exchange and correlation effects.
Phys. Rev. A. 140, 1133–1138 (1965)
92. C. Vega, J.L.F. Abascal, Simulating water with rigid non-polarizable models: a general perspective. Phys. Chem. Chem. Phys. 13, 19663–19688 (2011)
93. P.Y. Ren, J.W. Ponder, Temperature and pressure dependence of the AMOEBA water model.
J. Phys. Chem. B. 108, 13427–13437 (2004)
94. H.A. Stern, F. Rittner, B.J. Berne, R.A. Friesner, Combined fluctuating charge and polarizable
dipole models: application to a five-site water potential function. J. Chem. Phys. 115, 2237–
2251 (2001)
95. P.L. Silvestrelli, M. Parrinello, Water molecule dipole in the gas and in the liquid phase. Phys.
Rev. Lett. 82, 3308–3311 (1999)
96. S.W. Petterson, H.A. Levy, A single-crystal neutron diffraction study of heavy ice. Acta
Crystallogr. 10, 70–76 (1957)
47
70. N.M. Sergeev, N.D. Sergeyeva, Proton exchange in solutions of water in nitromethane and
dioxane. Phys. Chem. Chem. Phys. 4, 2994–2999 (2002)
71. T.R. Dyke, K.M. Mack, J.S. Muenter, The structure of water dimer from molecular beam
electric resonance spectroscopy. J. Chem. Phys. 66, 498–510 (1977)
72. V.G. Artemov, A.A. Volkov, N.N. Sysoev, A. A. Volkov Jr., On autoionization and pH of
liquid water. Doklady Phys. 61, 1–4 (2016)
73. A. Hassanali, M.K. Prakash, H. Eshet, M. Parrinello, On the recombination of hydronium and
hydroxide ions in water. PNAS 108, 20410–5 (2011)
74. K. Itagaki, Self-diffusion in single crystals of ice. J. Phys. Soc. Jpn. 19, 1081–1081 (1964)
75. J.H. Wang, Self-diffusion and structure of liquid water. I. measurement of self-diffusion of
liquid water with deuterium as tracer. J. Am. Chem. Soc. 73, 510–513 (1951)
76. K. Kreuer, Proton conductivity: materials and applications. Chem. Mater. 8, 610–641 (1996)
77. P.L. Geissler, C. Dellago, D. Chandler, J. Hutter, M. Parrinello, Autoionization in liquid water.
Science 291, 2121–2124 (2001)
78. K.J. Tielrooij, R.L.A. Timmer, H.J. Bakker, M. Bonn, Structure dynamics of the proton in
liquid water probed with terahertz time-domain spectroscopy. Phys. Rev. Lett. 102 (2009)
79. B. Halle, G. Karlstrom, Prototropic charge migration in water. J. Chem. Soc. Faraday Trans.
79, 1031–1046 (1983)
80. M. Beé, Quasielastic Neutron Scattering (Adam Hilger, Bristol, 1988)
81. D.I. Page, J.G. Powles, The correlation of molecular orientation in liquid water by neutron
and x-ray scattering. Mol. Phys. 21, 901–926 (1971)
82. J.G. Powles, J.C. Dore, D.I. Page, Coherent neutron scattering by light water (H 2 O) and a
light-heavy water mixture (64 per cent H 2 O/36 per cent D 2 O). Mol. Phys. 24, 1025–1037
(1972)
83. K.S. Singwi, A. Sjölander, Diffusive motions in water and cold neutron scattering. Phys. Rev.
119, 863–871 (1960)
84. S.M. Iskanderov, A.G. Novikov, Investigation of the rotational diffusion of water molecules.
Russ. J. Phys Chem. T. LVI 10, 2396–2404 (1982). [in Russian]
85. G.G. Malenkov, Structure and dynamics of liquid water. J. Struct. Chem. 47, 1–31 (2006)
86. V.S. Oskotsky, On the theory of quasi-elastic scattering of cold neutrons in a liquid. Phys.
Condens. Matter. 5, 1082 (1963). [in Russian]
87. J.A. Barker, R.O. Watts, Structure of water; A Monte Carlo calculation. Chem. Phys. Lett. 3,
144–145 (1969)
88. A. Rahman, F.H. Stillinger, Molecular dynamics study of liquid water. J. Chem. Phys. 55,
3336–3359 (1971)
89. A. Wallqvist, R.D. Mountain, Molecular models of water: derivation and description, in
Reviews in Computational Chemistry, vol. 13, eds by K.B. Lipkowitz, D.B. Boyd (Wiley,
Hoboken, NJ, USA, 2007)
90. S. Kale, J. Herzfeld, Natural polarizability and flexibility via explicit valency: the case of
water. J. Chem. Phys. 136, 084109–084118 (2012)
91. W. Kohn, L.J. Sham, Self-consistent equations including exchange and correlation effects.
Phys. Rev. A. 140, 1133–1138 (1965)
92. C. Vega, J.L.F. Abascal, Simulating water with rigid non-polarizable models: a general perspective. Phys. Chem. Chem. Phys. 13, 19663–19688 (2011)
93. P.Y. Ren, J.W. Ponder, Temperature and pressure dependence of the AMOEBA water model.
J. Phys. Chem. B. 108, 13427–13437 (2004)
94. H.A. Stern, F. Rittner, B.J. Berne, R.A. Friesner, Combined fluctuating charge and polarizable
dipole models: application to a five-site water potential function. J. Chem. Phys. 115, 2237–
2251 (2001)
95. P.L. Silvestrelli, M. Parrinello, Water molecule dipole in the gas and in the liquid phase. Phys.
Rev. Lett. 82, 3308–3311 (1999)
96. S.W. Petterson, H.A. Levy, A single-crystal neutron diffraction study of heavy ice. Acta
Crystallogr. 10, 70–76 (1957)