trunk/iceWater/iceWater.bib

%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/


%% Created for Dan Gezelter at 2013-09-09 09:17:11 -0400 


%% Saved with string encoding Unicode (UTF-8) 


@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{Laage11,
        Author = {D. Laage and G. Stirnemann and F. Sterpone and R. Rey and J. T. Hynes},
        Date-Added = {2013-08-25 18:27:56 +0000},
        Date-Modified = {2013-08-25 18:29:23 +0000},
        Journal = {Annu. Rev. Phys. Chem.},
        Pages = {395-416},
        Title = {Reorientation and Allies Dynamics in Water and Aqueous Solutions},
        Volume = {62},
        Year = {2011}}

@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 = {2013-07-12 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.},
        Pages = {096101-1},
        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},
        Date-Modified = {2013-07-12 19:40:33 +0000},
        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{Nada95,
        Author = {H. Nada and Y. Furukawa},
        Date-Added = {2013-04-17 18:46:57 +0000},
        Date-Modified = {2013-07-12 19:44:26 +0000},
        Journal = {Jpn. J. Appl. Phys.},
        Pages = {583-588},
        Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
        Volume = {34},
        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{Bryk02,
        Author = {T. Bryk and A. D. J. Haymet},
        Date-Added = {2013-04-12 18:10:25 +0000},
        Date-Modified = {2013-07-12 19:41:58 +0000},
        Journal = {J. Chem. Phys.},
        Number = {22},
        Pages = {10258-10268},
        Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
        Volume = {117},
        Year = {2002}}

@article{Hayward02,
        Author = {J. A. Hayward and A. D. J. Haymet},
        Date-Added = {2013-04-10 20:51:16 +0000},
        Date-Modified = {2013-07-12 19:43:12 +0000},
        Journal = {Phys. Chem. Chem. Phys.},
        Pages = {3712-3719},
        Title = {The ice/water interface: orientational order parameters for the basal, prism, {2021}, and {2110} interfaces of ice Ih},
        Volume = {4},
        Year = {2002}}

@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{Hayward01,
        Author = {J. A. Hayward and A. D. J. Haymet},
        Date-Added = {2013-04-10 19:52:17 +0000},
        Date-Modified = {2013-07-12 19:43:07 +0000},
        Journal = {J. Chem. Phys.},
        Number = {8},
        Pages = {3713-3726},
        Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {2021}, and {2110} interfaces of ice 1h},
        Volume = {114},
        Year = {2001}}

@article{Beaglehole93,
        Author = {D. Beaglehole and P. Wilson},
        Date-Added = {2013-01-25 22:22:46 +0000},
        Date-Modified = {2013-07-12 19:41:37 +0000},
        Journal = {J. Phys. Chem.},
        Pages = {11053-11055},
        Title = {Thickness and Anisotropy of the Ice-Water Interface},
        Volume = {97},
        Year = {1993}}

@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{Weber83,
        Author = {T. A. Weber and F. H. Stillinger},
        Date-Added = {2013-01-25 22:08:55 +0000},
        Date-Modified = {2013-07-12 19:45:05 +0000},
        Journal = {J. Phys. Chem.},
        Pages = {4277-4281},
        Title = {Molecular Dynamics Study of Ice Crystallite Melting},
        Volume = {87},
        Year = {1983}}

@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{Gay02,
        Author = {S. C. Gay and E. J. Smith and A. D. J. Haymet},
        Date-Added = {2013-01-25 21:57:19 +0000},
        Date-Modified = {2013-07-12 19:42:48 +0000},
        Journal = {J. Chem. Phys.},
        Number = {20},
        Pages = {8876-8880},
        Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
        Volume = {116},
        Year = {2002}}

@article{Karim90,
        Author = {O. A. Karim and A. D. J. Haymet},
        Date-Added = {2013-01-25 21:55:59 +0000},
        Date-Modified = {2013-07-12 19:43:44 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {4634},
        Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
        Volume = {92},
        Year = {1990}}

@article{Karim88,
        Author = {O. A. Karim and A. D. J. Haymet},
        Date-Added = {2013-01-25 21:53:57 +0000},
        Date-Modified = {2013-07-12 19:43:37 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {6889},
        Title = {The ice/water interface: A molecular dynamics simulation study},
        Volume = {11},
        Year = {1988}}

@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{Kumar09,
        Author = {P. Kumar and S. V. Buldyrev and H. E. Stanley},
        Date-Added = {2013-01-25 21:42:09 +0000},
        Date-Modified = {2013-07-12 19:44:04 +0000},
        Journal = {PNAS},
        Number = {52},
        Pages = {22130-22134},
        Title = {A tetrahedral entropy for water},
        Volume = {106},
        Year = {2009}}

@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{Hirsch04,
        Author = {T. K. Hirsch and L. Ojamae},
        Date-Added = {2013-01-25 21:10:43 +0000},
        Date-Modified = {2013-07-12 19:43:20 +0000},
        Journal = {J. Phys. Chem.},
        Pages = {15856-15864},
        Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
        Volume = {108},
        Year = {2004}}

@article{Berendsen87,
        Author = {H. J. C. Berendsen and J. R. Grigera and T. P. Straatsma},
        Date-Added = {2013-01-25 21:04:56 +0000},
        Date-Modified = {2013-07-12 19:41:50 +0000},
        Journal = {JACS},
        Number = {24},
        Pages = {6269-6271},
        Title = {The Missing Term In Effective Pair Potentials},
        Volume = {91},
        Year = {1987}}
Revision:	3951
Committed:	Mon Sep 9 13:18:42 2013 UTC (11 years, 10 months ago) by gezelter
File size:	31585 byte(s)
Log Message:	Fixed a few refs