-
1
-
-
0036703742
-
Roles of water for chemical reactions in hightemperature water
-
Akiya, N. & Savage, P. E. Roles of water for chemical reactions in hightemperature water. Chem. Rev. 102, 2725-2750 (2002).
-
(2002)
Chem. Rev
, vol.102
, pp. 2725-2750
-
-
Akiya, N.1
Savage, P.E.2
-
3
-
-
84879810508
-
Reaction pathways and kinetic modeling for phenol gasification in supercritical water
-
Huelsman, C. M. & Savage, P. E. Reaction pathways and kinetic modeling for phenol gasification in supercritical water. J. Supercrit. Fluids 81, 200-209 (2013).
-
(2013)
J. Supercrit. Fluids
, vol.81
, pp. 200-209
-
-
Huelsman, C.M.1
Savage, P.E.2
-
4
-
-
0000506190
-
Organic chemical reactions in supercritical water
-
Savage, P. E. Organic chemical reactions in supercritical water. Chem. Rev. 99, 603-622 (1999).
-
(1999)
Chem. Rev
, vol.99
, pp. 603-622
-
-
Savage, P.E.1
-
6
-
-
33847303854
-
Spectroscopic characterization of microscopic hydrogenbonding disparities in supercritical water
-
Wernet, P. et al. Spectroscopic characterization of microscopic hydrogenbonding disparities in supercritical water. J. Chem. Phys. 123, 154503 (2005).
-
(2005)
J. Chem. Phys
, vol.123
, pp. 154503
-
-
Wernet, P.1
-
7
-
-
9744250946
-
High pressure-temperature Raman measurements of H2O melting to 22 GPa and 900 K
-
Lin, J. F. et al. High pressure-temperature Raman measurements of H2O melting to 22 GPa and 900 K. J. Chem. Phys. 121, 8423-8427 (2004).
-
(2004)
J. Chem. Phys
, vol.121
, pp. 8423-8427
-
-
Lin, J.F.1
-
8
-
-
84898799293
-
Melting temperatures of H2O up to 72 GPa measured in a diamond anvil cell using CO2 laser heating technique
-
Kimura, T., Kuwayama, Y. & Yagi, T. Melting temperatures of H2O up to 72 GPa measured in a diamond anvil cell using CO2 laser heating technique. J. Chem. Phys. 140, 074501 (2014).
-
(2014)
J. Chem. Phys
, vol.140
, pp. 074501
-
-
Kimura, T.1
Kuwayama, Y.2
Yagi, T.3
-
9
-
-
0344890354
-
-
Second Edition (Royal Society of Chemistry)
-
Franks, F. Water: a Matrix for Life Second Edition (Royal Society of Chemistry, 2000).
-
(2000)
Water: A Matrix for Life
-
-
Franks, F.1
-
11
-
-
28044455451
-
Relation between the Widom line and the dynamic crossover in systems with a liquid-liquid phase transition
-
Xu, L. et al. Relation between the Widom line and the dynamic crossover in systems with a liquid-liquid phase transition. Proc. Natl Acad. Sci. USA 102, 16558-16562 (2005).
-
(2005)
Proc. Natl Acad. Sci. USA
, vol.102
, pp. 16558-16562
-
-
Xu, L.1
-
13
-
-
70349326166
-
The inhomogeneous structure of water at ambient conditions
-
Huang, C. et al. The inhomogeneous structure of water at ambient conditions. Proc. Natl Acad. Sci. USA 106, 15214-15218 (2009).
-
(2009)
Proc. Natl Acad. Sci. USA
, vol.106
, pp. 15214-15218
-
-
Huang, C.1
-
14
-
-
33846268357
-
Evidence of the existence of the low-density liquid phase in supercooled, confined water
-
Mallamace, F. et al. Evidence of the existence of the low-density liquid phase in supercooled, confined water. Proc. Natl Acad. Sci. USA 104, 424-428 (2007).
-
(2007)
Proc. Natl Acad. Sci. USA
, vol.104
, pp. 424-428
-
-
Mallamace, F.1
-
15
-
-
78650713175
-
Widom line and the liquid-liquid critical point for the TIP4P/2005 water model
-
Abascal, J. L. F. & Vega, C. Widom line and the liquid-liquid critical point for the TIP4P/2005 water model. J. Chem. Phys. 133, 234502 (2010).
-
(2010)
J. Chem. Phys
, vol.133
, pp. 234502
-
-
Abascal, J.L.F.1
Vega, C.2
-
16
-
-
33750686578
-
Scaled equation of state for supercooled water near the liquid-liquid critical point
-
Fuentevilla, D. A. & Anisimov, M. A. Scaled equation of state for supercooled water near the liquid-liquid critical point. Phys. Rev. Lett. 97, 195702 (2006).
-
(2006)
Phys. Rev. Lett
, vol.97
, pp. 195702
-
-
Fuentevilla, D.A.1
Anisimov, M.A.2
-
17
-
-
67650892088
-
ESR evidence for 2 coexisting liquid phases in deeply supercooled bulk water
-
Banerjee, D., Bhat, S. N., Bhat, S. V. & Leporini, D. ESR evidence for 2 coexisting liquid phases in deeply supercooled bulk water. Proc. Natl Acad. Sci. USA 106, 11448-11453 (2009).
-
(2009)
Proc. Natl Acad. Sci. USA
, vol.106
, pp. 11448-11453
-
-
Banerjee, D.1
Bhat, S.N.2
Bhat, S.V.3
Leporini, D.4
-
18
-
-
79958818421
-
Enhanced smallangle scattering connected to the Widom line in simulations of supercooled water
-
Wikfeldt, K. T., Huang, C., Nilsson, A. & Pettersson, L. G. M. Enhanced smallangle scattering connected to the Widom line in simulations of supercooled water. J. Chem. Phys. 134, 214506 (2011).
-
(2011)
J. Chem. Phys
, vol.134
, pp. 214506
-
-
Wikfeldt, K.T.1
Huang, C.2
Nilsson, A.3
Pettersson, L.G.M.4
-
19
-
-
77953969499
-
A route to explain water anomalies from results on an aqueous solution of salt
-
Corradini, D., Rovere, M. & Gallo, P. A route to explain water anomalies from results on an aqueous solution of salt. J. Chem. Phys. 132, 134508 (2010).
-
(2010)
J. Chem. Phys
, vol.132
, pp. 134508
-
-
Corradini, D.1
Rovere, M.2
Gallo, P.3
-
20
-
-
33748659267
-
Thermodynamics and dynamics of the two-scale spherically symmetric Jagla ramp model of anomalous liquids
-
Xu, L., Buldyrev, S. V., Angell, C. A. & Stanley, H. E. Thermodynamics and dynamics of the two-scale spherically symmetric Jagla ramp model of anomalous liquids. Phys. Rev. E 74, 031108 (2006).
-
(2006)
Phys. Rev. e
, vol.74
, pp. 031108
-
-
Xu, L.1
Buldyrev, S.V.2
Angell, C.A.3
Stanley, H.E.4
-
21
-
-
77953991356
-
Effects of hydrophobic solutes on the liquid-liquid critical point
-
Corradini, D., Buldyrev, S. V., Gallo, P. & Stanley, H. E. Effects of hydrophobic solutes on the liquid-liquid critical point. Phys. Rev. E 81, 061504 (2010).
-
(2010)
Phys. Rev. e
, vol.81
, pp. 061504
-
-
Corradini, D.1
Buldyrev, S.V.2
Gallo, P.3
Stanley, H.E.4
-
22
-
-
84876463331
-
A molecular dynamics study of the equation of state and structure of supercooled aqueous solutions of methanol
-
Corradini, D., Su, Z., Stanley, H. E. & Gallo, P. A molecular dynamics study of the equation of state and structure of supercooled aqueous solutions of methanol. J. Chem. Phys. 137, 184503 (2012).
-
(2012)
J. Chem. Phys
, vol.137
, pp. 184503
-
-
Corradini, D.1
Su, Z.2
Stanley, H.E.3
Gallo, P.4
-
23
-
-
82555186151
-
Widom line for the liquid-gas transition in Lennard-Jones system
-
Brazhkin, V. V., Fomin, Y. D., Lyapin, A. G., Ryzhov, V. N. & Tsiok, E. N. Widom line for the liquid-gas transition in Lennard-Jones system. J. Phys. Chem. B 115, 14112-14115 (2011).
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 14112-14115
-
-
Brazhkin, V.V.1
Fomin, Y.D.2
Lyapin, A.G.3
Ryzhov, V.N.4
Tsiok, E.N.5
-
24
-
-
80052404812
-
Van der Waals supercritical fluid: Exact formulas for special lines
-
Brazhkin, V. V. & Ryzhov, V. N. Van der Waals supercritical fluid: exact formulas for special lines. J. Chem. Phys. 135, 084503 (2011).
-
(2011)
J. Chem. Phys
, vol.135
, pp. 084503
-
-
Brazhkin, V.V.1
Ryzhov, V.N.2
-
25
-
-
33845518165
-
Liquidlike behavior of supercritical fluids
-
Gorelli, F., Santoro, M., Scopigno, T., Krisch, M. & Ruocco, G. Liquidlike behavior of supercritical fluids. Phys. Rev. Lett. 97, 245702 (2006).
-
(2006)
Phys. Rev. Lett
, vol.97
, pp. 245702
-
-
Gorelli, F.1
Santoro, M.2
Scopigno, T.3
Krisch, M.4
Ruocco, G.5
-
26
-
-
77954346669
-
The Widom line as the crossover between liquid-like and gas-like behaviour in supercritical fluids
-
Simeoni, G. G. et al. The Widom line as the crossover between liquid-like and gas-like behaviour in supercritical fluids. Nat. Phys. 6, 503-507 (2010).
-
(2010)
Nat. Phys
, vol.6
, pp. 503-507
-
-
Simeoni, G.G.1
-
27
-
-
84873618657
-
Dynamics and Thermodynamics beyond the critical point
-
Gorelli, F. A. et al. Dynamics and Thermodynamics beyond the critical point. Sci. Rep. 3, 1203 (2013).
-
(2013)
Sci. Rep
, vol.3
, pp. 1203
-
-
Gorelli, F.A.1
-
28
-
-
29244471731
-
A general purpose model for the condensed phases of water: TIP4P/2005
-
Abascal, J. L. F. & Vega, C. A general purpose model for the condensed phases of water: TIP4P/2005. J. Chem. Phys. 123, 234505 (2005).
-
(2005)
J. Chem. Phys
, vol.123
, pp. 234505
-
-
Abascal, J.L.F.1
Vega, C.2
-
29
-
-
80455177304
-
Simulating water with rigid non-polarizable models: A general perspective
-
Vega, C. & Abascal, J. L. F. Simulating water with rigid non-polarizable models: a general perspective. Phys. Chem. Chem. Phys. 13, 19663-19688 (2011).
-
(2011)
Phys. Chem. Chem. Phys
, vol.13
, pp. 19663-19688
-
-
Vega, C.1
Abascal, J.L.F.2
-
30
-
-
0000629699
-
Crossover function for the critical viscosity of a classical fluid
-
Bhattacharjee, J. K., Ferrell, R. A., Basu, R. S. & Sengers, J. V. Crossover function for the critical viscosity of a classical fluid. Phys. Rev. A 24, 1469-1475 (1981).
-
(1981)
Phys. Rev. A
, vol.24
, pp. 1469-1475
-
-
Bhattacharjee, J.K.1
Ferrell, R.A.2
Basu, R.S.3
Sengers, J.V.4
-
31
-
-
63949084844
-
Viscosity of H2O in the critical region
-
Sengers, J. V., Perkins, R. A., Huber, M. L. & Friend, D. G. Viscosity of H2O in the critical region. Int. J. Thermophys. 30, 374-384 (2009).
-
(2009)
Int. J. Thermophys
, vol.30
, pp. 374-384
-
-
Sengers, J.V.1
Perkins, R.A.2
Huber, M.L.3
Friend, D.G.4
-
33
-
-
80455146164
-
Dynamical behavior near a liquid-liquid phase transition in simulations of supercooled water
-
Poole, P. H., Becker, S. R., Sciortino, F. & Starr, F. W. Dynamical behavior near a liquid-liquid phase transition in simulations of supercooled water. J. Phys. Chem. B 115, 14176-14183 (2011).
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 14176-14183
-
-
Poole, P.H.1
Becker, S.R.2
Sciortino, F.3
Starr, F.W.4
-
34
-
-
84868352650
-
Mode coupling and fragile to strong transition in supercooled TIP4P water
-
Gallo, P. & Rovere, M. Mode coupling and fragile to strong transition in supercooled TIP4P water. J. Chem. Phys. 137, 164503 (2012).
-
(2012)
J. Chem. Phys
, vol.137
, pp. 164503
-
-
Gallo, P.1
Rovere, M.2
-
35
-
-
84881658814
-
Cooperative dynamic and diffusion behavior above and below the dynamical crossover of supercooled water
-
Picasso, G. C., Malaspina, D. C., Carignano, M. A. & Szleifer, I. Cooperative dynamic and diffusion behavior above and below the dynamical crossover of supercooled water. J. Chem. Phys. 139, 044509 (2013).
-
(2013)
J. Chem. Phys
, vol.139
, pp. 044509
-
-
Picasso, G.C.1
Malaspina, D.C.2
Carignano, M.A.3
Szleifer, I.4
-
36
-
-
80455129247
-
Spatially inhomogeneous bimodal inherent structure of simulated liquid water
-
Wikfeldt, K. T., Nilsson, A. & Pettersson, L. G. M. Spatially inhomogeneous bimodal inherent structure of simulated liquid water. Phys. Chem. Chem. Phys. 13, 19918-19924 (2011).
-
(2011)
Phys. Chem. Chem. Phys
, vol.13
, pp. 19918-19924
-
-
Wikfeldt, K.T.1
Nilsson, A.2
Pettersson, L.G.M.3
-
37
-
-
84859393254
-
Two liquid states of matter: A dynamic line on a phase diagram
-
Brazhkin, V. V., Fomin, Y. D., Lyapin, A. G., Ryzhov, V. N. & Trachenko, K. Two liquid states of matter: A dynamic line on a phase diagram. Phys. Rev. E 85, 031203 (2012).
-
(2012)
Phys. Rev. e
, vol.85
, pp. 031203
-
-
Brazhkin, V.V.1
Fomin, Y.D.2
Lyapin, A.G.3
Ryzhov, V.N.4
Trachenko, K.5
-
38
-
-
84885163986
-
'Liquid-gas' transition in the supercritical region: Fundamental changes in the particle dynamics
-
Brazhkin, V. V. et al. 'Liquid-gas' transition in the supercritical region: fundamental changes in the particle dynamics. Phys. Rev. Lett. 111, 145901 (2013).
-
(2013)
Phys. Rev. Lett
, vol.111
, pp. 145901
-
-
Brazhkin, V.V.1
-
39
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W. & Klein, M. L. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 79, 926-935 (1983).
-
(1983)
J. Chem. Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
40
-
-
84943502952
-
A molecular dynamics method for simulations in the canonical ensemble
-
Nosé, S. A molecular dynamics method for simulations in the canonical ensemble. Mol. Phys. 52, 255-268 (1984).
-
(1984)
Mol. Phys
, vol.52
, pp. 255-268
-
-
Nosé, S.1
-
41
-
-
0001538909
-
Canonical dynamics: Equilibrium phase-space distributions
-
Hoover, W. G. Canonical dynamics: equilibrium phase-space distributions. Phys. Rev. A 31, 1695-1697 (1985).
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
42
-
-
0019707626
-
Polymorphic transitions in single crystals: A new molecular dynamics method
-
Parrinello, M. & Rahman, A. Polymorphic transitions in single crystals: a new molecular dynamics method. J. Appl. Phys. 52, 7182-7190 (1981).
-
(1981)
J. Appl. Phys
, vol.52
, pp. 7182-7190
-
-
Parrinello, M.1
Rahman, A.2
-
43
-
-
84926811618
-
Constant pressure molecular dynamics for molecular systems
-
Nosé, S. & Klein, M. L. Constant pressure molecular dynamics for molecular systems. Mol. Phys. 50, 1055-1076 (1983).
-
(1983)
Mol. Phys
, vol.50
, pp. 1055-1076
-
-
Nosé, S.1
Klein, M.L.2
-
44
-
-
46249092554
-
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
Hess, B., Kutzner, C., van der Spoel, D. & Lindahl, E. GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation. J. Chem. Theory Comp. 4, 435-447 (2008).
-
(2008)
J. Chem. Theory Comp
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
|