trunk/iceWater/iceWater.bib

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@article{Beaglehole93,
        Author = {Beaglehole, D. and Wilson, P.},
        Date-Added = {2013-09-10 14:24:51 +0000},
        Date-Modified = {2013-09-10 14:24:58 +0000},
        Doi = {10.1021/j100144a025},
        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100144a025},
        Journal = {The Journal of Physical Chemistry},
        Number = {42},
        Pages = {11053-11055},
        Title = {Thickness and anisotropy of the ice-water interface},
        Url = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
        Volume = {97},
        Year = {1993},
        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
        Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100144a025}}

@article{Bryk02,
        Author = {Taras Bryk and A. D. J. Haymet},
        Date-Added = {2013-09-10 14:23:32 +0000},
        Date-Modified = {2013-09-10 14:23:42 +0000},
        Doi = {10.1063/1.1519538},
        Journal = {The Journal of Chemical Physics},
        Keywords = {liquid structure; molecular dynamics method; water; ice; interface structure},
        Number = {22},
        Pages = {10258-10268},
        Publisher = {AIP},
        Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
        Url = {http://link.aip.org/link/?JCP/117/10258/1},
        Volume = {117},
        Year = {2002},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/117/10258/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1519538}}

@article{Gay02,
        Author = {S. C. Gay and E. J. Smith and A. D. J. Haymet},
        Date-Added = {2013-09-10 14:22:50 +0000},
        Date-Modified = {2013-09-10 14:22:54 +0000},
        Doi = {10.1063/1.1471556},
        Journal = {The Journal of Chemical Physics},
        Keywords = {ice; melting; molecular dynamics method; crystal structure; digital simulation},
        Number = {20},
        Pages = {8876-8880},
        Publisher = {AIP},
        Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
        Url = {http://link.aip.org/link/?JCP/116/8876/1},
        Volume = {116},
        Year = {2002},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/116/8876/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1471556}}

@article{Duman:2001qy,
        Author = {Duman, John G},
        Date-Added = {2013-09-10 14:21:59 +0000},
        Date-Modified = {2013-09-10 14:22:07 +0000},
        Doi = {10.1146/annurev.physiol.63.1.327},
        Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physiol.63.1.327},
        Journal = {Annual Review of Physiology},
        Note = {PMID: 11181959},
        Number = {1},
        Pages = {327-357},
        Title = {ANTIFREEZE AND ICE NUCLEATOR PROTEINS IN TERRESTRIAL ARTHROPODS},
        Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
        Volume = {63},
        Year = {2001},
        Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
        Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physiol.63.1.327}}

@article{Chapsky97,
        Author = {Chapsky, Lars and Rubinsky, Boris},
        Date = {1997/07/21},
        Date-Added = {2013-09-10 14:21:02 +0000},
        Date-Modified = {2013-09-10 14:21:09 +0000},
        Id = {S0014-5793(97)00787-4},
        Isbn = {0014-5793},
        Journal = {FEBS letters},
        Journal1 = {FEBS letters},
        Journal2 = {FEBS Lett},
        Keywords = {Antifreeze proteins; Protein adsorption; Temperature gradient thermometry; Ice},
        Month = {07},
        Number = {1},
        Pages = {241--244},
        Publisher = {Elsevier Science B.V.},
        Title = {Kinetics of antifreeze protein-induced ice growth inhibition},
        Ty = {ABST},
        Url = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true},
        Volume = {412},
        Year = {1997},
        Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true}}

@article{Weber83,
        Annote = {doi: 10.1021/j100244a057},
        Author = {Weber, Thomas A. and Stillinger, Frank H.},
        Booktitle = {The Journal of Physical Chemistry},
        Da = {1983/10/01},
        Date = {1983/10/01},
        Date-Added = {2013-09-10 14:20:08 +0000},
        Date-Modified = {2013-09-10 14:20:17 +0000},
        Doi = {10.1021/j100244a057},
        Isbn = {0022-3654},
        Journal = {The Journal of Physical Chemistry},
        Journal1 = {J. Phys. Chem.},
        M3 = {doi: 10.1021/j100244a057},
        Month = {2013/09/10},
        Number = {21},
        Pages = {4277--4281},
        Publisher = {American Chemical Society},
        Title = {Molecular dynamics study of ice crystallite melting},
        Ty = {JOUR},
        Url = {http://dx.doi.org/10.1021/j100244a057},
        Volume = {87},
        Year = {1983},
        Year1 = {1983},
        Bdsk-Url-1 = {http://dx.doi.org/10.1021/j100244a057}}

@article{Han92,
        Author = {Han, K. and Hale, B. N.},
        Date-Added = {2013-09-10 14:19:03 +0000},
        Date-Modified = {2013-09-10 14:19:07 +0000},
        Doi = {10.1103/PhysRevB.45.29},
        Issue = {1},
        Journal = {Phys. Rev. B},
        Month = {Jan},
        Pages = {29--35},
        Publisher = {American Physical Society},
        Title = {Monte Carlo study of a simple model bulk-ice-Ih system: \textit{P} - \textit{T} melting behavior at constant volume},
        Url = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
        Volume = {45},
        Year = {1992},
        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.45.29}}

@article{Hayward02,
        Abstract = {Orientational order parameters for four crystallographically distinct ice/water interfaces are defined and measured in molecular dynamics computer simulations of the CF1 central force model of water. We find that all interfaces are broad{,} with consistently different orientational structures found among the four interfaces. We also define and measure a local order parameter in the interfaces related to oxygen-oxygen coordination number{,} and show that this measure of the interfacial width is extremely broad. Combining recent results for the translational order parameters{,} average density order parameters and diffusion coefficient order parameters{,} for this model of water{,} coupled with other simulations of rigid models of water{,} a clear picture of the structure of the ice/water interface emerges. This also reveals a possible explanation for the differential accumulation of certain solutes at the ice/water interface.},
        Author = {Hayward, Jennifer A. and Haymet, A. D. J.},
        Date-Added = {2013-09-10 14:18:04 +0000},
        Date-Modified = {2013-09-10 14:18:11 +0000},
        Doi = {10.1039/B202039D},
        Issue = {15},
        Journal = {Phys. Chem. Chem. Phys.},
        Pages = {3712-3719},
        Publisher = {The Royal Society of Chemistry},
        Title = {The ice/water interface: orientational order parameters for the basal{,} prism{,} {20[2 with combining macron]1}{,} and {2[1 with combining macron][1 with combining macron]0} interfaces of ice Ih},
        Url = {http://dx.doi.org/10.1039/B202039D},
        Volume = {4},
        Year = {2002},
        Bdsk-Url-1 = {http://dx.doi.org/10.1039/B202039D}}

@article{Nada95,
        Author = {Hiroki Nada and Yoshinori Furukawa},
        Date-Added = {2013-09-10 14:16:57 +0000},
        Date-Modified = {2013-09-10 14:17:03 +0000},
        Doi = {10.1143/JJAP.34.583},
        Journal = {Japanese Journal of Applied Physics},
        Number = {Part 1, No. 2A},
        Numpages = {5},
        Pages = {583-588},
        Publisher = {The Japan Society of Applied Physics},
        Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
        Url = {http://jjap.jsap.jp/link?JJAP/34/583/},
        Volume = {34},
        Year = {1995},
        Bdsk-Url-1 = {http://jjap.jsap.jp/link?JJAP/34/583/},
        Bdsk-Url-2 = {http://dx.doi.org/10.1143/JJAP.34.583}}

@article{Nada12,
        Author = {Nada, Hiroki and Furukawa, Yoshinori},
        Date = {2012/07//print},
        Date-Added = {2013-09-10 14:15:54 +0000},
        Date-Modified = {2013-09-10 14:16:01 +0000},
        Isbn = {0032-3896},
        Journal = {Polym J},
        Month = {07},
        Number = {7},
        Pages = {690--698},
        Publisher = {The Society of Polymer Science, Japan},
        Title = {Antifreeze proteins: computer simulation studies on the mechanism of ice growth inhibition},
        Ty = {JOUR},
        Url = {http://dx.doi.org/10.1038/pj.2012.13},
        Volume = {44},
        Year = {2012},
        Bdsk-Url-1 = {http://dx.doi.org/10.1038/pj.2012.13}}

@article{Ewald,
        Author = {Christopher J. Fennell and J. Daniel Gezelter},
        Date-Added = {2013-09-10 14:14:59 +0000},
        Date-Modified = {2013-09-10 14:15:03 +0000},
        Doi = {10.1063/1.2206581},
        Eid = {234104},
        Journal = {The Journal of Chemical Physics},
        Keywords = {Lennard-Jones potential; liquid theory; molecular dynamics method},
        Number = {23},
        Numpages = {12},
        Pages = {234104},
        Publisher = {AIP},
        Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
        Url = {http://link.aip.org/link/?JCP/124/234104/1},
        Volume = {124},
        Year = {2006},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/124/234104/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2206581}}

@article{Laage08,
        Author = {Laage, Damien and Hynes, James T.},
        Date-Added = {2013-09-10 13:29:18 +0000},
        Date-Modified = {2013-09-10 13:29:25 +0000},
        Doi = {10.1021/jp805217u},
        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp805217u},
        Journal = {The Journal of Physical Chemistry B},
        Note = {PMID: 18942871},
        Number = {45},
        Pages = {14230-14242},
        Title = {On the Molecular Mechanism of Water Reorientation},
        Url = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
        Volume = {112},
        Year = {2008},
        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp805217u}}

@article{Kumar09,
        Abstract = {We introduce the space-dependent correlation function C Q(r) and time-dependent autocorrelation function C Q(t) of the local tetrahedral order parameter Q ≡ Q(r,t). By using computer simulations of 512 waterlike particles interacting through the transferable interaction potential with five points (TIP5 potential), we investigate C Q(r) in a broad region of the phase diagram. We find that at low temperatures C Q(t) exhibits a two-step time-dependent decay similar to the self-intermediate scattering function and that the corresponding correlation time τQ displays a dynamic cross-over from non-Arrhenius behavior for T > T W to Arrhenius behavior for T < T W, where T W denotes the Widom temperature where the correlation length has a maximum as T is decreased along a constant-pressure path. We define a tetrahedral entropy S Q associated with the local tetrahedral order of water molecules and find that it produces a major contribution to the specific heat maximum at the Widom line. Finally, we show that τQ can be extracted from S Q by using an analog of the Adam--Gibbs relation.},
        Author = {Kumar, Pradeep and Buldyrev, Sergey V. and Stanley, H. Eugene},
        Date-Added = {2013-09-10 13:27:51 +0000},
        Date-Modified = {2013-09-10 13:27:58 +0000},
        Doi = {10.1073/pnas.0911094106},
        Eprint = {http://www.pnas.org/content/106/52/22130.full.pdf+html},
        Journal = {Proceedings of the National Academy of Sciences},
        Number = {52},
        Pages = {22130-22134},
        Title = {A tetrahedral entropy for water},
        Url = {http://www.pnas.org/content/106/52/22130.abstract},
        Volume = {106},
        Year = {2009},
        Bdsk-Url-1 = {http://www.pnas.org/content/106/52/22130.abstract},
        Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0911094106}}

@article{Furse08,
        Author = {Furse, Kristina E. and Corcelli, Steven A.},
        Date-Added = {2013-09-10 13:25:57 +0000},
        Date-Modified = {2013-09-10 13:26:03 +0000},
        Doi = {10.1021/ja803728g},
        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja803728g},
        Journal = {Journal of the American Chemical Society},
        Note = {PMID: 18767841},
        Number = {39},
        Pages = {13103-13109},
        Title = {The Dynamics of Water at DNA Interfaces: Computational Studies of Hoechst 33258 Bound to DNA},
        Url = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
        Volume = {130},
        Year = {2008},
        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
        Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja803728g}}

@article{Pit99,
        Author = {Pit, Remmelt and Hervet, Hubert and L{\'e}ger, Liliane},
        Date-Added = {2013-09-09 22:18:25 +0000},
        Date-Modified = {2013-09-09 22:18:35 +0000},
        Doi = {10.1023/A:1019161101812},
        Issn = {1023-8883},
        Journal = {Tribology Letters},
        Keywords = {slip; lubrication; friction; lyophobic; liquid--solid interface},
        Language = {English},
        Number = {2-3},
        Pages = {147-152},
        Publisher = {Kluwer Academic Publishers-Plenum Publishers},
        Title = {Friction and slip of a simple liquid at a solid surface},
        Url = {http://dx.doi.org/10.1023/A%3A1019161101812},
        Volume = {7},
        Year = {1999},
        Bdsk-Url-1 = {http://dx.doi.org/10.1023/A%3A1019161101812},
        Bdsk-Url-2 = {http://dx.doi.org/10.1023/A:1019161101812}}

@article{Berendsen87,
        Author = {Berendsen, H. J. C. and Grigera, J. R. and Straatsma, T. P.},
        Date-Added = {2013-09-09 22:17:15 +0000},
        Date-Modified = {2013-09-09 22:17:24 +0000},
        Doi = {10.1021/j100308a038},
        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100308a038},
        Journal = {The Journal of Physical Chemistry},
        Number = {24},
        Pages = {6269-6271},
        Title = {The missing term in effective pair potentials},
        Url = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
        Volume = {91},
        Year = {1987},
        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
        Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100308a038}}

@article{Wilson10,
        Author = {Wilson, P. W. and Haymet, A. D. J.},
        Date-Added = {2013-09-09 22:15:46 +0000},
        Date-Modified = {2013-09-09 22:16:06 +0000},
        Doi = {10.1021/jp105001c},
        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp105001c},
        Journal = {The Journal of Physical Chemistry B},
        Number = {39},
        Pages = {12585-12588},
        Title = {Effect of Ice Growth Rate on the Measured Workman - Reynolds Freezing Potential between Ice and Dilute NaCl Solutions},
        Url = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
        Volume = {114},
        Year = {2010},
        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp105001c}}

@article{Karim88,
        Author = {Omar A. Karim and A. D. J. Haymet},
        Date-Added = {2013-09-09 22:12:57 +0000},
        Date-Modified = {2013-09-09 22:13:11 +0000},
        Doi = {10.1063/1.455363},
        Journal = {The Journal of Chemical Physics},
        Keywords = {ICE; WATER; INTERFACE STRUCTURE; MOLECULAR DYNAMICS CALCULATIONS; CORRELATION FUNCTIONS},
        Number = {11},
        Pages = {6889-6896},
        Publisher = {AIP},
        Title = {The ice/water interface: A molecular dynamics simulation study},
        Url = {http://link.aip.org/link/?JCP/89/6889/1},
        Volume = {89},
        Year = {1988},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/89/6889/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.455363}}

@article{Hayward01,
        Author = {Jennifer A. Hayward and A. D. J. Haymet},
        Date-Added = {2013-09-09 22:11:25 +0000},
        Date-Modified = {2013-09-09 22:11:33 +0000},
        Doi = {10.1063/1.1333680},
        Journal = {The Journal of Chemical Physics},
        Keywords = {ice; water; molecular dynamics method; interface phenomena; density; diffusion},
        Number = {8},
        Pages = {3713-3726},
        Publisher = {AIP},
        Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {202-bar 1}, and {21-bar 1-bar 0} interfaces of ice Ih},
        Url = {http://link.aip.org/link/?JCP/114/3713/1},
        Volume = {114},
        Year = {2001},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/114/3713/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1333680}}

@article{Karim90,
        Author = {Omar A. Karim and Paul A. Kay and A. D. J. Haymet},
        Date-Added = {2013-09-09 22:10:33 +0000},
        Date-Modified = {2013-09-09 22:10:40 +0000},
        Doi = {10.1063/1.457730},
        Journal = {The Journal of Chemical Physics},
        Keywords = {ICE; WATER; INTERFACES; COMPUTERIZED SIMULATION; MOLECULAR DYNAMICS CALCULATIONS; INTERFACE STRUCTURE; SURFACE PROPERTIES; MOLECULAR ORIENTATION; DIFFUSION; DENSITY},
        Number = {7},
        Pages = {4634-4635},
        Publisher = {AIP},
        Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
        Url = {http://link.aip.org/link/?JCP/92/4634/1},
        Volume = {92},
        Year = {1990},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/92/4634/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.457730}}

@article{Hirsch04,
        Author = {Hirsch, Tomas K. and Ojam{\"a}e, Lars},
        Date-Added = {2013-09-09 18:46:26 +0000},
        Date-Modified = {2013-09-09 18:47:19 +0000},
        Doi = {10.1021/jp048434u},
        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp048434u},
        Journal = {The Journal of Physical Chemistry B},
        Number = {40},
        Pages = {15856-15864},
        Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
        Url = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
        Volume = {108},
        Year = {2004},
        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp048434u}}

@article{Laage11,
        Author = {Laage, Damien and Stirnemann, Guillaume and Sterpone, Fabio and Rey, Rossend and Hynes, James T.},
        Date-Added = {2013-09-09 18:43:55 +0000},
        Date-Modified = {2013-09-09 18:44:03 +0000},
        Doi = {10.1146/annurev.physchem.012809.103503},
        Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physchem.012809.103503},
        Journal = {Annual Review of Physical Chemistry},
        Note = {PMID: 21219140},
        Number = {1},
        Pages = {395-416},
        Title = {Reorientation and Allied Dynamics in Water and Aqueous Solutions},
        Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
        Volume = {62},
        Year = {2011},
        Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
        Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physchem.012809.103503}}

@article{PhysRevLett.70.2726,
        Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
        Date-Added = {2013-09-09 17:57:57 +0000},
        Date-Modified = {2013-09-09 17:57:57 +0000},
        Doi = {10.1103/PhysRevLett.70.2726},
        Issue = {18},
        Journal = {Phys. Rev. Lett.},
        Month = {May},
        Pages = {2726--2729},
        Publisher = {American Physical Society},
        Title = {Hydrodynamic boundary conditions and correlation functions of confined fluids},
        Url = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
        Volume = {70},
        Year = {1993},
        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.70.2726}}

@article{PhysRevE.49.3079,
        Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
        Date-Added = {2013-09-09 17:57:29 +0000},
        Date-Modified = {2013-09-09 17:57:29 +0000},
        Doi = {10.1103/PhysRevE.49.3079},
        Issue = {4},
        Journal = {Phys. Rev. E},
        Month = {Apr},
        Pages = {3079--3092},
        Publisher = {American Physical Society},
        Title = {Hydrodynamic boundary conditions, correlation functions, and Kubo relations for confined fluids},
        Url = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
        Volume = {49},
        Year = {1994},
        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.49.3079}}

@article{Mundy1997305,
        Author = {Christopher J. Mundy and Sundaram Balasubramanian and Michael L. Klein},
        Date-Added = {2013-09-09 17:02:36 +0000},
        Date-Modified = {2013-09-09 18:38:42 +0000},
        Doi = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4},
        Issn = {0378-4371},
        Journal = {Physica A: Statistical Mechanics and its Applications},
        Number = {1--2},
        Pages = {305 - 314},
        Title = {Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics},
        Url = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
        Volume = {240},
        Year = {1997},
        Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
        Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4}}

@article{Bresme08,
        Author = {Bresme, Fernando and Lervik, Anders and Bedeaux, Dick and Kjelstrup, Signe},
        Date-Added = {2013-09-09 13:16:41 +0000},
        Date-Modified = {2013-09-09 13:16:47 +0000},
        Doi = {10.1103/PhysRevLett.101.020602},
        Issue = {2},
        Journal = {Phys. Rev. Lett.},
        Month = {Jul},
        Numpages = {4},
        Pages = {020602},
        Publisher = {American Physical Society},
        Title = {Water Polarization under Thermal Gradients},
        Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
        Volume = {101},
        Year = {2008},
        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.020602}}

@article{Nada03,
        Author = {Hiroki Nada and Jan P. J. M. van der Eerden},
        Date-Added = {2013-09-09 13:15:08 +0000},
        Date-Modified = {2013-09-09 13:15:17 +0000},
        Doi = {10.1063/1.1562610},
        Journal = {The Journal of Chemical Physics},
        Keywords = {potential energy functions; ice; water; melting point; Monte Carlo methods; thermodynamic properties; liquid structure},
        Number = {16},
        Pages = {7401-7413},
        Publisher = {AIP},
        Title = {An intermolecular potential model for the simulation of ice and water near the melting point: A six-site model of H[sub 2]O},
        Url = {http://link.aip.org/link/?JCP/118/7401/1},
        Volume = {118},
        Year = {2003},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/7401/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1562610}}

@article{Wierzbicki07,
        Author = {Wierzbicki, Andrzej and Dalal, Pranav and Cheatham, Thomas E. and Knickelbein, Jared E. and Haymet, A. D. J. and Madura, Jeffry D.},
        Date = {2007/09/01},
        Date-Added = {2013-09-09 13:13:07 +0000},
        Date-Modified = {2013-09-09 13:13:15 +0000},
        Id = {S0006-3495(07)71405-4 DOI - 10.1529/biophysj.107.105189},
        Isbn = {0006-3495},
        Journal = {Biophysical journal},
        Journal1 = {Biophysical journal},
        Journal2 = {Biophys J},
        Month = {09},
        Number = {5},
        Pages = {1442--1451},
        Publisher = {Cell Press},
        Title = {Antifreeze Proteins at the Ice/Water Interface: Three Calculated Discriminating Properties for Orientation of Type I Proteins},
        Ty = {ABST},
        Url = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054},
        Volume = {93},
        Year = {2007},
        Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054}}

@article{OOPSE,
        Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
        Date-Added = {2013-09-03 20:42:45 +0000},
        Date-Modified = {2013-09-03 20:42:45 +0000},
        Doi = {10.1002/jcc.20161},
        Issn = {1096-987X},
        Journal = {Journal of Computational Chemistry},
        Keywords = {OOPSE, molecular dynamics},
        Number = {3},
        Pages = {252--271},
        Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
        Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
        Url = {http://dx.doi.org/10.1002/jcc.20161},
        Volume = {26},
        Year = {2005},
        Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}

@misc{openmd,
        Author = {J. Daniel Gezelter and Joseph Michalka and Shenyu Kuang and James Marr and Kelsey Stocker and Chunlei Li and Charles F. Vardeman and Teng Lin and Christopher J. Fennell and Xiuquan Sun and Kyle Daily and Yang Zheng and Matthew A. Meineke},
        Date-Added = {2013-09-03 20:42:37 +0000},
        Date-Modified = {2013-09-03 20:42:37 +0000},
        Howpublished = {Available at {\tt http://openmd.org}},
        Title = {{OpenMD, an Open Source Engine for Molecular Dynamics}}}

@article{Buch:2008fk,
        Abstract = {The physics of the ice crystal surface and its interaction with adsorbates are not only of fundamental interest but also of considerable importance to terrestrial and planetary chemistry. Yet the atomic-level structure of even the pristine ice surface at low temperature is still far from well understood. This computational study focuses on the pattern of dangling H and dangling O (lone pairs) atoms at the basal ice surface. Dangling atoms serve as binding sites for adsorbates capable of hydrogen- and electrostatic bonding. Extension of the well known orientational disorder (``proton disorder'') of bulk crystal ice to the surface would naturally suggest a disordered dangling atom pattern; however, extensive computer simulations employing two different empirical potentials indicate significant free energy preference for a striped phase with alternating rows of dangling H and dangling O atoms, as suggested long ago by Fletcher [Fletcher NH (1992) Philos Mag 66:109--115]. The presence of striped phase domains within the basal surface is consistent with the hitherto unexplained minor fractional peaks in the helium diffraction pattern observed 10 years ago. Compared with the disordered model, the striped model yields improved agreement between computations and experimental ppp-polarized sum frequency generation spectra.},
        Author = {Buch, V. and Groenzin, H. and Li, I. and Shultz, M. J. and Tosatti, E.},
        Date-Added = {2013-09-03 20:15:03 +0000},
        Date-Modified = {2013-09-03 20:15:11 +0000},
        Doi = {10.1073/pnas.0710129105},
        Eprint = {http://www.pnas.org/content/105/16/5969.full.pdf+html},
        Journal = {Proceedings of the National Academy of Sciences},
        Number = {16},
        Pages = {5969-5974},
        Title = {Proton order in the ice crystal surface},
        Url = {http://www.pnas.org/content/105/16/5969.abstract},
        Volume = {105},
        Year = {2008},
        Bdsk-Url-1 = {http://www.pnas.org/content/105/16/5969.abstract},
        Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0710129105}}

@article{Wilson08,
        Author = {Wilson, P. W. and Haymet, A. D. J.},
        Date-Added = {2013-09-03 20:09:39 +0000},
        Date-Modified = {2013-09-09 22:14:12 +0000},
        Doi = {10.1021/jp804047x},
        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804047x},
        Journal = {The Journal of Physical Chemistry B},
        Note = {PMID: 18720967},
        Number = {37},
        Pages = {11750-11755},
        Title = {Workman - Reynolds Freezing Potential Measurements between Ice and Dilute Salt Solutions for Single Ice Crystal Faces},
        Url = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
        Volume = {112},
        Year = {2008},
        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804047x}}

@article{Smith05,
        Author = {E. J. Smith and T. Bryk and A. D. J. Haymet},
        Date-Added = {2013-09-03 20:03:24 +0000},
        Date-Modified = {2013-09-03 20:03:30 +0000},
        Doi = {10.1063/1.1953578},
        Eid = {034706},
        Journal = {The Journal of Chemical Physics},
        Keywords = {chlorine; sodium; ice; water; positive ions; negative ions; free energy; solvation; molecular dynamics method; interface phenomena; melting point},
        Number = {3},
        Numpages = {16},
        Pages = {034706},
        Publisher = {AIP},
        Title = {Free energy of solvation of simple ions: Molecular-dynamics study of solvation of Cl[sup -] and Na[sup +] in the ice/water interface},
        Url = {http://link.aip.org/link/?JCP/123/034706/1},
        Volume = {123},
        Year = {2005},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/123/034706/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1953578}}

@article{Sakai96,
        Author = {Hideki Sakai},
        Date-Added = {2013-09-03 20:01:26 +0000},
        Date-Modified = {2013-09-03 20:01:36 +0000},
        Doi = {http://dx.doi.org/10.1016/0039-6028(96)01033-3},
        Issn = {0039-6028},
        Journal = {Surface Science},
        Keywords = {Surface melting},
        Number = {3},
        Pages = {387 - 392},
        Title = {How does a slab-shaped solid melt?},
        Url = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
        Volume = {348},
        Year = {1996},
        Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
        Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(96)01033-3}}

@article{Sakai96B,
        Author = {Hideki Sakai},
        Date-Added = {2013-09-03 20:00:35 +0000},
        Date-Modified = {2013-09-03 20:01:43 +0000},
        Doi = {http://dx.doi.org/10.1016/0039-6028(95)01263-X},
        Issn = {0039-6028},
        Journal = {Surface Science},
        Keywords = {Surface melting},
        Number = {1--3},
        Pages = {285 - 291},
        Title = {Surface-induced melting of small particles},
        Url = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
        Volume = {351},
        Year = {1996},
        Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
        Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)01263-X}}

@article{Vanfleet95,
        Author = {Richard R. Vanfleet and J.M. Mochel},
        Date-Added = {2013-09-03 19:59:42 +0000},
        Date-Modified = {2013-09-03 19:59:51 +0000},
        Doi = {http://dx.doi.org/10.1016/0039-6028(95)00728-8},
        Issn = {0039-6028},
        Journal = {Surface Science},
        Keywords = {Wetting},
        Number = {1--2},
        Pages = {40 - 50},
        Title = {Thermodynamics of melting and freezing in small particles},
        Url = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
        Volume = {341},
        Year = {1995},
        Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
        Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)00728-8}}

@article{Granasy95,
        Author = {Granasy, Laszlo},
        Date-Added = {2013-09-03 19:58:11 +0000},
        Date-Modified = {2013-09-03 19:58:23 +0000},
        Doi = {10.1021/j100038a061},
        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100038a061},
        Journal = {The Journal of Physical Chemistry},
        Number = {38},
        Pages = {14182-14187},
        Title = {Diffuse Interface Analysis of Ice Nucleation in Undercooled Water},
        Url = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
        Volume = {99},
        Year = {1995},
        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
        Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100038a061}}

@article{Meister29012013,
        Abstract = {Antifreeze proteins (AFPs) are specific proteins that are able to lower the freezing point of aqueous solutions relative to the melting point. Hyperactive AFPs, identified in insects, have an especially high ability to depress the freezing point by far exceeding the abilities of other AFPs. In previous studies, we postulated that the activity of AFPs can be attributed to two distinct molecular mechanisms: (i) short-range direct interaction of the protein surface with the growing ice face and (ii) long-range interaction by protein-induced water dynamics extending up to 20 {\AA} from the protein surface. In the present paper, we combine terahertz spectroscopy and molecular simulations to prove that long-range protein--water interactions make essential contributions to the high antifreeze activity of insect AFPs from the beetle Dendroides canadensis. We also support our hypothesis by studying the effect of the addition of the osmolyte sodium citrate.},
        Author = {Meister, Konrad and Ebbinghaus, Simon and Xu, Yao and Duman, John G. and DeVries, Arthur and Gruebele, Martin and Leitner, David M. and Havenith, Martina},
        Date-Added = {2013-09-03 19:22:18 +0000},
        Date-Modified = {2013-09-03 19:22:18 +0000},
        Doi = {10.1073/pnas.1214911110},
        Eprint = {http://www.pnas.org/content/110/5/1617.full.pdf+html},
        Journal = {Proceedings of the National Academy of Sciences},
        Number = {5},
        Pages = {1617-1622},
        Title = {Long-range protein--water dynamics in hyperactive insect antifreeze proteins},
        Url = {http://www.pnas.org/content/110/5/1617.abstract},
        Volume = {110},
        Year = {2013},
        Bdsk-Url-1 = {http://www.pnas.org/content/110/5/1617.abstract},
        Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1214911110}}

@article{Nada05,
        Author = {H. Nada and Y. Furukawa},
        Date-Added = {2013-08-30 00:03:37 +0000},
        Date-Modified = {2013-09-03 19:53:16 +0000},
        Journal = {Journal of Crystal Growth},
        Pages = {242-256},
        Title = {Anisotropy in growth kinetics at interfaces between proton-disordered hexagonal ice and water: A molecular dynamics study using the six-site model of \ce{H2O}},
        Volume = {283},
        Year = {2005}}

@article{Bryk04,
        Author = {T. Bryk and A. D. J. Haymet},
        Date-Added = {2013-07-15 18:33:15 +0000},
        Date-Modified = {2013-07-15 18:34:17 +0000},
        Journal = {Journal of Molecular Liquids},
        Pages = {47-50},
        Title = {Charge separation at the ice/water interface: a molecular dynamics simulation study of solute ions at the ice basal plane},
        Volume = {112},
        Year = {2004}}

@article{Rick03,
        Author = {S. W. Rick and A. D. J. Haymet},
        Date-Added = {2013-07-15 16:05:32 +0000},
        Date-Modified = {2013-07-15 16:06:41 +0000},
        Journal = {J. Chem. Phys.},
        Number = {20},
        Pages = {9291-9296},
        Title = {Dielectric constant and proton order and disorder in ice Ih: Monte Carlo computer simulations},
        Volume = {118},
        Year = {2003}}

@article{Davidchack12,
        Author = {Davidchack, Ruslan L. and Handel, Richard and Anwar, Jamshed and Brukhno, Andrey V.},
        Date-Added = {2013-07-11 21:25:47 +0000},
        Date-Modified = {2013-07-11 21:34:56 +0000},
        Doi = {10.1021/ct300193e},
        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct300193e},
        Journal = {Journal of Chemical Theory and Computation},
        Number = {7},
        Pages = {2383-2390},
        Title = {Ice Ih--Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions},
        Url = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
        Volume = {8},
        Year = {2012},
        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
        Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct300193e}}

@article{Armstrong13,
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        Date-Added = {2013-07-11 19:35:13 +0000},
        Date-Modified = {2013-07-12 19:40:42 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {014504},
        Title = {Water polarization induced by thermal gradients: Te extended simple point charge model (SPC/E)},
        Volume = {139},
        Year = {2013}}

@article{Smith93,
        Author = {P. E. Smith and W F. van Gunsteren},
        Date-Added = {2013-06-19 17:39:04 +0000},
        Date-Modified = {2013-07-12 19:44:47 +0000},
        Journal = {Chem. Phys. Letters},
        Number = {4},
        Pages = {315-318},
        Title = {The viscosity of SPC and SPC/E water at 277 and 300 K},
        Volume = {215},
        Year = {1993}}

@article{Gonzalez10,
        Author = {M. A. Gonzalez and J. L. F. Abascal},
        Date-Added = {2013-06-19 17:30:15 +0000},
        Date-Modified = {2013-07-12 19:42:54 +0000},
        Journal = {J. Chem. Phys.},
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        Title = {The shear viscosity of rigid water models},
        Volume = {132},
        Year = {2010}}

@article{Balasubramanian96,
        Author = {S. Balasubramanian and C. J. Mundy and M. L. Klein},
        Date-Added = {2013-06-19 17:28:24 +0000},
        Date-Modified = {2013-07-12 19:41:03 +0000},
        Journal = {J. Chem. Phys.},
        Number = {24},
        Pages = {11190-11195},
        Title = {Shear viscosity of polar fluids: Molecular dynamics calculations of water},
        Volume = {105},
        Year = {1996}}

@article{Guo01,
        Author = {G. Guo and Y. Zhang},
        Date-Added = {2013-06-19 17:27:08 +0000},
        Date-Modified = {2013-07-12 19:43:00 +0000},
        Journal = {Molecular Physics},
        Number = {4},
        Pages = {283-289},
        Title = {Equilibrium molecular dynamics calculation of the bulk viscosity of liquid water},
        Volume = {99},
        Year = {2001}}

@article{Hess02,
        Author = {B. Hess},
        Date-Added = {2013-06-19 17:19:04 +0000},
        Date-Modified = {2013-06-19 17:20:27 +0000},
        Journal = {J. Chem. Phys.},
        Number = {1},
        Pages = {209-217},
        Title = {Determining the shear viscosity of model liquids from molecular dynamics simulations},
        Volume = {116},
        Year = {2002}}

@article{Balasubramanian99,
        Author = {S. Balasubramanian and C. J. Mundy},
        Date-Added = {2013-06-13 16:47:33 +0000},
        Date-Modified = {2013-07-12 19:41:12 +0000},
        Journal = {Bull. Mater. Sci.},
        Number = {5},
        Pages = {873-876},
        Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
        Volume = {22},
        Year = {1999}}

@article{Arbuckle02,
        Author = {B. W. Arbuckle and P. Clancy},
        Date-Added = {2013-04-26 19:34:32 +0000},
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        Journal = {J. Chem. Phys.},
        Number = {12},
        Pages = {5090-5098},
        Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
        Volume = {116},
        Year = {2002}}

@article{Baez95,
        Author = {L. A. Baez and P. Clancy},
        Date-Added = {2013-04-17 20:31:40 +0000},
        Date-Modified = {2013-07-12 19:40:50 +0000},
        Journal = {J. Chem. Phys.},
        Number = {22},
        Pages = {9744-9755},
        Title = {Phase equilibria in extended simple point charge ice-water systems},
        Volume = {103},
        Year = {1995}}

@article{Nada00,
        Author = {H. Nada and Y. Furukawa},
        Date-Added = {2013-04-17 18:43:16 +0000},
        Date-Modified = {2013-07-12 19:44:13 +0000},
        Journal = {Surface Science},
        Pages = {1-16},
        Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
        Volume = {446},
        Year = {2000}}

@article{Rick01,
        Author = {S. W. Rick},
        Date-Added = {2013-04-10 20:46:33 +0000},
        Date-Modified = {2013-04-10 20:47:32 +0000},
        Journal = {J. Chem. Phys.},
        Number = {5},
        Pages = {2276-2283},
        Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
        Volume = {114},
        Year = {2001}}

@article{Barnaal67,
        Author = {D. E. Barnaal and I. J. Lowe},
        Date-Added = {2013-01-25 22:17:46 +0000},
        Date-Modified = {2013-07-12 19:41:19 +0000},
        Journal = {J. Chem. Phys.},
        Number = {12},
        Pages = {4800- 4809},
        Title = {Experimental Free-Induction-Decay Shapes and Theoretical Second Moments for Hydrogen in Hexagonal Ice},
        Volume = {46},
        Year = {1967}}

@article{Peterson57,
        Author = {S. W. Peterson and H. A. Levy},
        Date-Added = {2013-01-25 22:16:38 +0000},
        Date-Modified = {2013-07-12 19:44:32 +0000},
        Journal = {Acta Cryst.},
        Pages = {70-76},
        Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
        Volume = {10},
        Year = {1957}}

@article{Huler76,
        Author = {E. Huler and A. Zunger},
        Date-Added = {2013-01-25 22:12:37 +0000},
        Date-Modified = {2013-07-12 19:43:25 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {433-440},
        Title = {Calculation of the Equilibrium Configuration and Intermolecular Frequencies of Water Dimers and Hexagonal Ice},
        Volume = {13},
        Year = {1976}}

@article{Rahman72,
        Author = {A. Rahman and F. H. Stillinger},
        Date-Added = {2013-01-25 22:07:43 +0000},
        Date-Modified = {2013-07-12 19:44:37 +0000},
        Journal = {J. Chem. Phys.},
        Number = {9},
        Pages = {4009-4017},
        Title = {Proton Distribution in Ice and the Kirkwood Correlation Factor},
        Volume = {57},
        Year = {1972}}

@article{Santry72,
        Author = {D. P. Santry},
        Date-Added = {2013-01-25 22:05:34 +0000},
        Date-Modified = {2013-01-25 22:12:17 +0000},
        Journal = {JACS},
        Pages = {8311-8316},
        Title = {Molecular Orbital Studies on Hexagonal Ice},
        Volume = {94},
        Year = {1972}}

@article{Townsend83,
        Author = {M. Townsend and S. A. Rice},
        Date-Added = {2013-01-25 22:04:31 +0000},
        Date-Modified = {2013-07-12 19:44:52 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {2496-2498},
        Title = {A test of an effective pair potential for liquid water},
        Volume = {79},
        Year = {1983}}

@article{Deutsch83,
        Author = {P. W. Deutsch and B. N. Hale and R. C. Ward and D. A. Reago Jr.},
        Date-Added = {2013-01-25 22:01:53 +0000},
        Date-Modified = {2013-07-12 19:42:29 +0000},
        Journal = {J. Phys. Chem.},
        Pages = {4309-4311},
        Title = {Theoretical Studies of the Surface of a Model Bulk Ice Ih near 300 K Using a Central Force Potential Model},
        Volume = {87},
        Year = {1983}}

@article{Davidson84,
        Author = {E. R. Davidson and K. Morokuma},
        Date-Added = {2013-01-25 22:00:42 +0000},
        Date-Modified = {2013-07-12 19:42:16 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {3741-3742},
        Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
        Volume = {81},
        Year = {1984}}

@article{Cota77,
        Author = {E. Cota and W. G. Hoover},
        Date-Added = {2013-01-25 21:59:33 +0000},
        Date-Modified = {2013-07-12 19:40:13 +0000},
        Journal = {J. Chem. Phys.},
        Number = {8},
        Pages = {3839},
        Title = {Computer simulation of hexagonal ice},
        Volume = {67},
        Year = {1977}}

@article{Karim87,
        Author = {O. A. Karim and A. D. J. Haymet},
        Date-Added = {2013-01-25 21:52:35 +0000},
        Date-Modified = {2013-07-12 19:43:31 +0000},
        Journal = {Chem. Phys. Letters},
        Number = {6},
        Pages = {531-534},
        Title = {The Ice/Water Interface},
        Volume = {138},
        Year = {1987}}

@article{Batista01,
        Author = {E. R. Batista and H. Jonsson},
        Date-Added = {2013-01-25 21:50:07 +0000},
        Date-Modified = {2013-07-12 19:41:28 +0000},
        Journal = {Computational Materials Science},
        Pages = {325-336},
        Title = {Diffusion and Island formation of the ice Ih basal plane surface},
        Volume = {20},
        Year = {2001}}

@article{Campo10,
        Author = {M. G. Campo},
        Date-Added = {2013-01-25 21:48:02 +0000},
        Date-Modified = {2013-01-25 21:48:44 +0000},
        Journal = {Papers in Physics},
        Pages = {020001},
        Title = {Structural and dynamic properties of SPC/E water},
        Volume = {2},
        Year = {2010}}

@article{Vega05,
        Author = {C. Vega and E. Sanz and J. L. F. Abascal},
        Date-Added = {2013-01-25 21:44:43 +0000},
        Date-Modified = {2013-07-12 19:44:59 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {114507},
        Title = {The melting temperature of the most common models of water},
        Volume = {122},
        Year = {2005}}

@article{Errington01,
        Author = {J. R. Errington and P. G. Debenedetti},
        Date-Added = {2013-01-25 21:40:29 +0000},
        Date-Modified = {2013-07-12 19:42:36 +0000},
        Journal = {Nature},
        Pages = {318-321},
        Title = {Relationship between structural order and the anomalies of liquid water},
        Volume = {409},
        Year = {2001}}

@article{Chau98,
        Author = {P. L. Chau and A. J. Hardwick},
        Date-Added = {2013-01-25 21:39:31 +0000},
        Date-Modified = {2013-07-12 19:42:07 +0000},
        Journal = {Molecular Physics},
        Number = {3},
        Pages = {511-518},
        Title = {A new order parameter for tetrahedral configurations},
        Volume = {93},
        Year = {1998}}

@article{Kuang12,
        Author = {S. Kuang and J. D. Gezelter},
        Date-Added = {2013-01-25 21:35:01 +0000},
        Date-Modified = {2013-07-12 19:43:55 +0000},
        Journal = {Molecular Physics},
        Pages = {691-701},
        Title = {Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients},
        Volume = {110},
        Year = {2012}}

@article{Kuang10,
        Author = {S. Kuang and J. D. Gezelter},
        Date-Added = {2013-01-25 21:27:09 +0000},
        Date-Modified = {2013-07-12 19:43:49 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {164101},
        Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
        Volume = {133},
        Year = {2010}}

@article{Bryk2004b,
        Abstract = {The density-temperature diagram for SPC/E water at one bar pressure is studied with correct treatment of long-range potentials. The density maximum was obtained at temperature 240 K. The melting temperature for ice Ih is estimated to be 225$\pm$5 K from the simulations of ice/water coexistence. A local order parameter for ice/water interface is discussed.},
        Author = {Bryk, Taras and Haymet, A.D.J.},
        Doi = {doi:10.1080/0892702031000152172},
        Journal = {Molecular Simulation},
        Keyword = {Ice, Melting temperature, Phase diagram, Water},
        Number = {2-1},
        Pages = {131-135},
        Title = {The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water},
        Url = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
        Volume = {30},
        Year = {2004},
        Bdsk-Url-1 = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
        Bdsk-Url-2 = {http://dx.doi.org/10.1080/0892702031000152172}}
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