--- trunk/iceWater/iceWater.bib 2013/07/03 19:11:24 3899 +++ trunk/iceWater/iceWater.bib 2013/09/09 18:48:22 3954 @@ -2,17 +2,508 @@ %% http://bibdesk.sourceforge.net/ -%% Created for Patrick Louden at 2013-06-19 13:40:03 -0400 +%% Created for Dan Gezelter at 2013-09-09 14:47:22 -0400 %% Saved with string encoding Unicode (UTF-8) -@article{Smith93, - Author = {P. E. Smith, W F. van Gunsteren}, +@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{Pit99, + Author = {Pit, Remmelt and Hervet, Hubert and L{\'e}ger, Liliane}, + Booktitle = {Tribology Letters}, + Da = {1999/09/01}, + Date-Added = {2013-09-09 13:10:25 +0000}, + Date-Modified = {2013-09-09 13:10:42 +0000}, + Doi = {10.1023/A:1019161101812}, + Isbn = {1023-8883}, + J2 = {Tribology Letters}, + Keywords = {slip; lubrication; friction; lyophobic; liquid--solid interface}, + La = {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}, + Ty = {JOUR}, + 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{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}} + +@article{Ewald, + Author = {C. J. Fennell and J. D. Gezelter}, + Date-Added = {2013-09-03 20:42:37 +0000}, + Date-Modified = {2013-09-03 20:42:37 +0000}, + Journal = {J. Chem. Phys.}, + Keywords = {Ewald and OpenMD}, + Month = {June}, + Pages = {234104}, + Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics}, + Volume = {124}, + Year = {2006}} + +@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 = {2013-09-03 20:09:47 +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{Nada12, + Author = {Nada, Hiroki and Furukawa, Yoshinori}, + Date = {2012/07//print}, + Date-Added = {2013-09-03 20:08:08 +0000}, + Date-Modified = {2013-09-03 20:08:14 +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{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{Chapsky97, + Author = {Chapsky, Lars and Rubinsky, Boris}, + Date = {1997/07/21}, + Date-Added = {2013-09-03 20:02:20 +0000}, + Date-Modified = {2013-09-03 20:02:28 +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{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{Han92, + Author = {Han, K. and Hale, B. N.}, + Date-Added = {2013-09-03 19:57:15 +0000}, + Date-Modified = {2013-09-03 19:57:24 +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{Duman:2001qy, + Author = {Duman, J. G.}, + Date-Added = {2013-09-03 19:23:31 +0000}, + Date-Modified = {2013-09-03 19:23:31 +0000}, + Isi = {Isi:000168071900015}, + Issn = {0066-4278}, + Journal = {Ann. Rev. Physiology}, + Pages = {327--357}, + Publication-Type = {J}, + Title = {Antifreeze and Ice Nucleator Proteins in Terrestrial Arthropods}, + Volume = {63}, + Year = {2001}} + +@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{Laage08, + Author = {D. Laage and J. T. Hynes}, + Date-Added = {2013-08-25 18:29:26 +0000}, + Date-Modified = {2013-08-25 18:30:32 +0000}, + Journal = {J. Chem. Phys. B}, + Pages = {14230-14242}, + Title = {On the Molecular Mechanism of Water Reorientation}, + Volume = {112}, + Year = {2008}} + +@article{Furse08, + Author = {K. E. Furse and S. A. Corcelli}, + Date-Added = {2013-08-25 18:26:35 +0000}, + Date-Modified = {2013-08-25 18:27:51 +0000}, + Journal = {JACS}, + Pages = {13103-13109}, + Title = {The Dynamics of Water at DNA Interfaces: Computational Studies of Hoechst 33258 Bound to DNA}, + Volume = {130}, + Year = {2008}} + +@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{Wilson10, + Author = {P. W. Wilson and A. D. J. Haymet}, + Date-Added = {2013-07-15 18:25:02 +0000}, + Date-Modified = {2013-07-15 18:26:04 +0000}, + Journal = {J. Phys. Chem.}, + Pages = {12585}, + Title = {Effect of Ice Growth on the Measured WOrkman-Reynolds Freezing Potential between Ice and Dilute NaCl Soltutions}, + Volume = {114}, + Year = {2010}} + +@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, + Author = {J. A. Armstrong and F. Bresme}, + 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 = {2013-06-19 17:40:01 +0000}, + Date-Modified = {2013-07-12 19:44:47 +0000}, Journal = {Chem. Phys. Letters}, Number = {4}, Pages = {315-318}, @@ -21,9 +512,9 @@ Year = {1993}} @article{Gonzalez10, - Author = {M. A. Gonzalez, J. L. F. Abascal}, + Author = {M. A. Gonzalez and J. L. F. Abascal}, Date-Added = {2013-06-19 17:30:15 +0000}, - Date-Modified = {2013-06-19 17:31:54 +0000}, + Date-Modified = {2013-07-12 19:42:54 +0000}, Journal = {J. Chem. 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