-
1
-
-
23344446773
-
A potential model for the study of ices and amorphous water: TIP4P/Ice
-
Abascal, J.L.F., Sanz, E., Fernández, R.G. and Vega, C., 2005, "A potential model for the study of ices and amorphous water: TIP4P/Ice," J. Chem. Phys., Vol.122, 234511.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 234511
-
-
Abascal, J.L.F.1
Sanz, E.2
Fernández, R.G.3
Vega, C.4
-
2
-
-
29244471731
-
A general purpose model for the condensed phases of water: TIP4P/2005
-
Abascal, J.L.F., and Vega, C., 2005, "A general purpose model for the condensed phases of water: TIP4P/2005," J. Chem. Phys., Vol.123, 234505.
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 234505
-
-
Abascal, J.L.F.1
Vega, C.2
-
3
-
-
39349085417
-
Properties of ices at 0 K: A test of water models
-
Aragones, J.L., Noya, E.G., Abascal, J.L.F. and Vega, C., 2007, "Properties of Ices at 0 K: A Test of Water Models," J. Chem. Phys., Vol.127, 154518.
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 154518
-
-
Aragones, J.L.1
Noya, E.G.2
Abascal, J.L.F.3
Vega, C.4
-
4
-
-
1242346370
-
The missing term in effective pair potentials
-
Berendsen, H.J.C., Grigera, J.R. and Straatsma, T.P., 1987, "The Missing Term in Effective Pair Potentials," J. Phys. Chem., Vol.91, No.24, pp. 6269-6271.
-
(1987)
J. Phys. Chem.
, vol.91
, Issue.24
, pp. 6269-6271
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straatsma, T.P.3
-
5
-
-
0002775934
-
-
edited by B. Pullman (Reidel, Dordrecht, Holland)
-
Berendsen, H.J.C., Postma, J.P.M., van Gunstaren, W.F. and Hermans, J., 1981, in Intermolecular Forces, edited by B. Pullman, p. 331 (Reidel, Dordrecht, Holland).
-
(1981)
Intermolecular Forces
, pp. 331
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunstaren, W.F.3
Hermans, J.4
-
6
-
-
0000109629
-
Farinfrared spectra of ice II, V, and IX
-
Bertie, J.E., Labbe, H.J., and Whalley, E., 1968, "Farinfrared Spectra of Ice II, V, and IX," J. Chem. Phys., Vol.49, No.2, pp. 775-780.
-
(1968)
J. Chem. Phys.
, vol.49
, Issue.2
, pp. 775-780
-
-
Bertie, J.E.1
Labbe, H.J.2
Whalley, E.3
-
7
-
-
36849108133
-
-1
-
Bertie, J.E., Labbe, H.J. and Whalley, E., 1969, "Absorptivity of Ice I in the Range 4000-30cm-1," J. Chem. Phys., Vol.50, No.10, pp. 4501-4520.
-
(1969)
J. Chem. Phys.
, vol.50
, Issue.10
, pp. 4501-4520
-
-
Bertie, J.E.1
Labbe, H.J.2
Whalley, E.3
-
8
-
-
36849117224
-
-1
-
Bertie, J.E. and Whalley, E., J., 1964, "Infrared Spectra of Ices II, III and V in the Range 4000 to 350 cm-1," Chem. Phys., Vol.40, No.6, pp. 1646-1659.
-
(1964)
Chem. Phys.
, vol.40
, Issue.6
, pp. 1646-1659
-
-
Bertie, J.E.1
Whalley, E.J.2
-
9
-
-
36849110075
-
-1
-
Bertie, J.E. and Whalley, E., 1967, "Optical Spectra of Orientationally Disordered Crystals. II. Infrared Spectrum of Ice Ih and Ice Ic from 360 to 50 cm-1," J. Chem. Phys., Vol.46, No.4, pp. 1271-1284.
-
(1967)
J. Chem. Phys.
, vol.46
, Issue.4
, pp. 1271-1284
-
-
Bertie, J.E.1
Whalley, E.2
-
10
-
-
0343503622
-
Structure and properties of ice
-
Bjerrum, N., 1951, Structure and Properties of Ice, Dan. Mat. Fys. Medd. 27, No.1.
-
(1951)
Dan. Mat. Fys. Medd.
, vol.27
, Issue.1
-
-
Bjerrum, N.1
-
12
-
-
0031997159
-
Measurement of the raman spectrum of liquid water
-
Carey, D.M. and Korenowski, G.M., 1998, "Measurement of the Raman Spectrum of Liquid Water," J. Chem. Phys., Vol.108, No.7, pp. 2669-2675.
-
(1998)
J. Chem. Phys.
, vol.108
, Issue.7
, pp. 2669-2675
-
-
Carey, D.M.1
Korenowski, G.M.2
-
13
-
-
0000918623
-
The intermolecular dynamics of liquid water
-
Castner, E.W., Jr., Chang, Y.J., Chu, Y.C. and Walrafen, G.E., 1995, "The Intermolecular Dynamics of Liquid Water," J. Chem. Phys., Vol.102, No.2, pp. 653-659.
-
(1995)
J. Chem. Phys.
, vol.102
, Issue.2
, pp. 653-659
-
-
Castner Jr., E.W.1
Chang, Y.J.2
Chu, Y.C.3
Walrafen, G.E.4
-
14
-
-
0001451003
-
The raman spectrum and the structure of water
-
Cross, P.C., Burnham, J. and Leighton, P.A., 1937, "The Raman Spectrum and the Structure of Water," J. Am. Chem. Soc., Vol.59, No.6, pp. 1134-1147.
-
(1937)
J. Am. Chem. Soc.
, vol.59
, Issue.6
, pp. 1134-1147
-
-
Cross, P.C.1
Burnham, J.2
Leighton, P.A.3
-
16
-
-
0000815846
-
Heat capacity of ice at low temperatures
-
Flubacher, P., Leadbetter, A.J. and Morrison, J.A., 1960, "Heat Capacity of Ice at Low Temperatures," J. Chem. Phys., Vol.33, No.6, pp. 1751-1755.
-
(1960)
J. Chem. Phys.
, vol.33
, Issue.6
, pp. 1751-1755
-
-
Flubacher, P.1
Leadbetter, A.J.2
Morrison, J.A.3
-
17
-
-
0012829507
-
Thermophysical properties of ice, snow, and sea ice
-
Fukusako, S., 1990, "Thermophysical Properties of Ice, Snow, and Sea Ice," Int. J. Thermodynamics, Vol.11, No.2, pp. 353-372.
-
(1990)
Int. J. Thermodynamics
, vol.11
, Issue.2
, pp. 353-372
-
-
Fukusako, S.1
-
18
-
-
33947348198
-
The entropy of water and the 3rd law of thermodynamics. The heat capacity of ice from 15 to 273 K
-
Giauque, W.F. and Stout, J.W., 1936, "The Entropy of Water and the 3rd Law of Thermodynamics. The Heat Capacity of Ice from 15 to 273 K," J. Am. Chem. Soc., Vol.58, No.7, pp. 1144-1150.
-
(1936)
J. Am. Chem. Soc.
, vol.58
, Issue.7
, pp. 1144-1150
-
-
Giauque, W.F.1
Stout, J.W.2
-
19
-
-
0001496947
-
The electron density distribution in ice Ih determined by singlecrystal x-ray diffractometry
-
Goto, A., Hondoh, T. and Mae, S., 1990, "The Electron Density Distribution in Ice Ih Determined by Singlecrystal x-ray Diffractometry," J. Chem. Phys., Vol.93, No.2, pp. 1412-1417.
-
(1990)
J. Chem. Phys.
, vol.93
, Issue.2
, pp. 1412-1417
-
-
Goto, A.1
Hondoh, T.2
Mae, S.3
-
20
-
-
0000070382
-
Calorimetric study of the glassy state X. Enthalpy relaxation at the glass-transition temperature of hexagonal ice
-
Haida, O., Matsuo, T., Suga, H. and Seki, S., 1974, "Calorimetric Study of the Glassy State X. Enthalpy Relaxation at the Glass-transition Temperature of Hexagonal Ice," J. Chem. Thermodynamics, Vol.6, pp. 815-825.
-
(1974)
J. Chem. Thermodynamics
, vol.6
, pp. 815-825
-
-
Haida, O.1
Matsuo, T.2
Suga, H.3
Seki, S.4
-
21
-
-
33847046749
-
Free energy of liquid water from a computer simulation via cell theory
-
Henchman, R.H., 2007, "Free Energy of Liquid Water From a Computer Simulation via Cell Theory," J. Chem. Phys., Vol.126, 064504.
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 064504
-
-
Henchman, R.H.1
-
22
-
-
0010131777
-
The raman spectra of water, aqueous solutions and ice
-
Hibben, J.H., 1937, "The Raman Spectra of Water, Aqueous Solutions and Ice," J. Chem. Phys., Vol.5, pp. 166-172.
-
(1937)
J. Chem. Phys.
, vol.5
, pp. 166-172
-
-
Hibben, J.H.1
-
23
-
-
0345759778
-
Librational heat capacity of fullerenes in the einstein model
-
Johari, G.P., 2003, "Librational Heat Capacity of Fullerenes in the Einstein Model," J. Chem. Phys., Vol.119, No.22, pp. 11912-11916.
-
(2003)
J. Chem. Phys.
, vol.119
, Issue.22
, pp. 11912-11916
-
-
Johari, G.P.1
-
24
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W.L., Chandrasekhar, J., Madura, J.D., Impey, R.W. and Klein, M.L., 1983, "Comparison of Simple Potential Functions for Simulating Liquid Water," J. Chem. Phys., Vol.79, No.2, pp. 926-935.
-
(1983)
J. Chem. Phys.
, vol.79
, Issue.2
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
25
-
-
5544255138
-
The structure of the ice Ih by neutron diffraction
-
Kuhs, W.F. and Lehmann, M.S., 1983, "The Structure of the Ice Ih by Neutron Diffraction," J. Phys. Chem., Vol.87, No.21, pp. 4312-4313.
-
(1983)
J. Phys. Chem.
, vol.87
, Issue.21
, pp. 4312-4313
-
-
Kuhs, W.F.1
Lehmann, M.S.2
-
26
-
-
0037113225
-
2O. II. Infrared line shapes and vibrational stokes shift
-
Lawrence, C.P. and Skinner, J.L., 2002, "Vibrational Spectroscopy of HOD in Liquid D2O. II. Infrared Line Shapes and Vibrational Stokes Shift," J. Chem. Phys., Vol.117, No.19, pp. 8847-8854.
-
(2002)
J. Chem. Phys.
, vol.117
, Issue.19
, pp. 8847-8854
-
-
Lawrence, C.P.1
Skinner, J.L.2
-
27
-
-
0037254829
-
2O. III. Spectral diffusion, and hydrogen-bonding and rotational dynamics
-
Lawrence, C.P. and Skinner, J.L., 2003, "Vibrational Spectroscopy of HOD in Liquid D2O. III. Spectral Diffusion, and Hydrogen-bonding and Rotational Dynamics," J. Chem. Phys., Vol.118, No.1, pp. 264-272.
-
(2003)
J. Chem. Phys.
, vol.118
, Issue.1
, pp. 264-272
-
-
Lawrence, C.P.1
Skinner, J.L.2
-
28
-
-
0002300553
-
Hydrogen-bond kinetics in liquid water
-
Luzar, A. and Chandler, D., 1996, "Hydrogen-bond Kinetics in Liquid Water," Nature, Vol.379, No.4, pp. 55-57.
-
(1996)
Nature
, vol.379
, Issue.4
, pp. 55-57
-
-
Luzar, A.1
Chandler, D.2
-
29
-
-
0000020246
-
A fivesite model for liquid water and the reproduction of the density anomaly by rigid nonpolarizable potential functions
-
Mahoney, M.W. and Jorgensen, W.L., 2000, "A Fivesite Model for Liquid Water and the Reproduction of the Density Anomaly by Rigid Nonpolarizable Potential Functions," J. Chem. Phys., Vol.112, No.20, pp. 8910-8922.
-
(2000)
J. Chem. Phys.
, vol.112
, Issue.20
, pp. 8910-8922
-
-
Mahoney, M.W.1
Jorgensen, W.L.2
-
30
-
-
67650764007
-
Quantum contributions in the ice phases: The path to a new empirical model for water - TIP4PQ2005
-
McBride, C., Vega, C., Noya, E.G., Ramírez, R. and Sesé, L.M., 2009, "Quantum Contributions in the Ice Phases: The Path to a New Empirical Model for Water - TIP4PQ2005," J. Chem. Phys., Vol.131, 024506.
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 024506
-
-
McBride, C.1
Vega, C.2
Noya, E.G.3
Ramírez, R.4
Sesé, L.M.5
-
31
-
-
33751157237
-
Femtosecond optical kerr effect studies of water
-
Palese, S., Schilling, L., Dwayne Miller, R.J., Staver, P.R. and Lotshaw, W.T., 1994, "Femtosecond Optical Kerr Effect Studies of Water," J. Phys. Chem., Vol.98, No.25, pp. 6308-6316.
-
(1994)
J. Phys. Chem.
, vol.98
, Issue.25
, pp. 6308-6316
-
-
Palese, S.1
Schilling, L.2
Dwayne Miller, R.J.3
Staver, P.R.4
Lotshaw, W.T.5
-
33
-
-
33947346630
-
Structure and entropy of ice and of other crystals with randomness of atomic arrangement
-
Pauling, L., 1935, "Structure and Entropy of Ice and of Other Crystals With Randomness of Atomic Arrangement," J. Am. Chem. Soc., Vol.57, No.12, pp. 2680-2684.
-
(1935)
J. Am. Chem. Soc.
, vol.57
, Issue.12
, pp. 2680-2684
-
-
Pauling, L.1
-
34
-
-
0001808933
-
A single-crystal neutron diffraction study of heavy ice
-
Peterson, S.W. and Levy, H.A., 1957, "A Single-crystal Neutron Diffraction Study of Heavy Ice," Acta Cryst., Vol.10, pp. 70-76.
-
(1957)
Acta Cryst.
, vol.10
, pp. 70-76
-
-
Peterson, S.W.1
Levy, H.A.2
-
35
-
-
0038763412
-
The order-disorder problem for ice
-
Pitzer, K.S. and Polissar, J., 1956, "The Order-disorder Problem for Ice," J. Phys. Chem., Vol.60, No.8, pp. 1140-1142.
-
(1956)
J. Phys. Chem.
, vol.60
, Issue.8
, pp. 1140-1142
-
-
Pitzer, K.S.1
Polissar, J.2
-
36
-
-
84967838229
-
Lattice vibrations of solids
-
Pohl, R.O., 1987, "Lattice Vibrations of Solids," Am. J. Phys., Vol.55, No.3, pp. 240-246.
-
(1987)
Am. J. Phys.
, vol.55
, Issue.3
, pp. 240-246
-
-
Pohl, R.O.1
-
37
-
-
0000775796
-
2O ice
-
Prask, H., Boutin, H. and Yip, S., 1968, "Frequency Spectrum of Hydrogenous Molecular Solids by Inelastic Neutron Scattering. Hexagonal H2O Ice," J. Chem. Phys., Vol.48, No.8, pp. 3367-3376.
-
(1968)
J. Chem. Phys.
, vol.48
, Issue.8
, pp. 3367-3376
-
-
Prask, H.1
Boutin, H.2
Yip, S.3
-
38
-
-
33645243385
-
The preparation and structures of hydrogen ordered phases of ice
-
Salzmann, C.G., Radaelli, P.G., Hallbrucker, A., Mayer, E. and Finney, J.L., 2006, "The Preparation and Structures of Hydrogen Ordered Phases of Ice," Science, Vol.311, pp. 1758-1761.
-
(2006)
Science
, vol.311
, pp. 1758-1761
-
-
Salzmann, C.G.1
Radaelli, P.G.2
Hallbrucker, A.3
Mayer, E.4
Finney, J.L.5
-
39
-
-
0033076711
-
The structure and mechanical behavior of ice
-
Schulson, E.M., 1999, "The Structure and Mechanical Behavior of Ice," J.O.M, pp. 21-27.
-
(1999)
J.O.M
, pp. 21-27
-
-
Schulson, E.M.1
-
40
-
-
0040977384
-
-
John Wiley & Sons, Inc.
-
Sonntag, R.E. and Van Wylen, G.J., 1966, Fundamentals of Statistical Thermodynamics, John Wiley & Sons, Inc., pp. 186-195.
-
(1966)
Fundamentals of Statistical Thermodynamics
, pp. 186-195
-
-
Sonntag, R.E.1
Van Wylen, G.J.2
-
43
-
-
42449094658
-
Ultrafast intermolecular dynamics of liquid water: A theoretical study on two-dimensional infrared spectroscopy
-
Yagasaki, T. and Saito, S., 2008, "Ultrafast Intermolecular Dynamics of Liquid Water: A Theoretical Study on Two-dimensional Infrared Spectroscopy," J. Chem. Phys., Vol.128, 154521.
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 154521
-
-
Yagasaki, T.1
Saito, S.2
|