trunk/iceWater/iceWater.bib

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


%% Created for Patrick Louden at 2013-07-11 17:35:08 -0400 


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


@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, F. Bresme},
        Date-Added = {2013-07-11 19:35:13 +0000},
        Date-Modified = {2013-07-11 19:36:40 +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, W F. van Gunsteren},
        Date-Added = {2013-06-19 17:39:04 +0000},
        Date-Modified = {2013-06-19 17:40:01 +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, J. L. F. Abascal},
        Date-Added = {2013-06-19 17:30:15 +0000},
        Date-Modified = {2013-06-19 17:31:54 +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, C. J. Mundy, M. L. Klein},
        Date-Added = {2013-06-19 17:28:24 +0000},
        Date-Modified = {2013-06-19 17:29:47 +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, Y. Zhang},
        Date-Added = {2013-06-19 17:27:08 +0000},
        Date-Modified = {2013-06-19 17:28:03 +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, C. J. Mundy},
        Date-Added = {2013-06-13 16:47:33 +0000},
        Date-Modified = {2013-06-13 16:49:21 +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, P. Clancy},
        Date-Added = {2013-04-26 19:34:32 +0000},
        Date-Modified = {2013-04-26 19:35:37 +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{Nada95,
        Author = {H. Nada, Y. Furukawa},
        Date-Added = {2013-04-17 18:46:57 +0000},
        Date-Modified = {2013-04-17 18:48:19 +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, Y. Furukawa},
        Date-Added = {2013-04-17 18:43:16 +0000},
        Date-Modified = {2013-04-17 18:44:49 +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{Hayward02,
        Author = {J. A. Hayward, A. D. J. Haymet},
        Date-Added = {2013-04-10 20:51:16 +0000},
        Date-Modified = {2013-04-10 20:52:36 +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, A. D. J. Haymet},
        Date-Added = {2013-04-10 19:52:17 +0000},
        Date-Modified = {2013-04-10 19:54:48 +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, P. Wilson},
        Date-Added = {2013-01-25 22:22:46 +0000},
        Date-Modified = {2013-01-25 22:23:28 +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, I. J. Lowe},
        Date-Added = {2013-01-25 22:17:46 +0000},
        Date-Modified = {2013-01-25 22:22:39 +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, H. A. Levy},
        Date-Added = {2013-01-25 22:16:38 +0000},
        Date-Modified = {2013-01-25 22:17:41 +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, A. Zunger},
        Date-Added = {2013-01-25 22:12:37 +0000},
        Date-Modified = {2013-01-25 22:13:46 +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, F. H. Stillinger},
        Date-Added = {2013-01-25 22:08:55 +0000},
        Date-Modified = {2013-01-25 22:12:35 +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, F. H. Stillinger},
        Date-Added = {2013-01-25 22:07:43 +0000},
        Date-Modified = {2013-01-25 22:12:09 +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, S. A. Rice},
        Date-Added = {2013-01-25 22:04:31 +0000},
        Date-Modified = {2013-01-25 22:12:24 +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, B. N. Hale, R. C. Ward, D. A. Reago Jr.},
        Date-Added = {2013-01-25 22:01:53 +0000},
        Date-Modified = {2013-01-25 22:10:54 +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{Cota77,
        Author = {E. Cota, W. G. Hoover},
        Date-Added = {2013-01-25 21:59:33 +0000},
        Date-Modified = {2013-01-25 22:10:39 +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, E. J. Smith, A. D. J. Haymet},
        Date-Added = {2013-01-25 21:57:19 +0000},
        Date-Modified = {2013-01-25 22:11:04 +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, A. D. J. Haymet},
        Date-Added = {2013-01-25 21:55:59 +0000},
        Date-Modified = {2013-01-25 22:11:50 +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, A. D. J. Haymet},
        Date-Added = {2013-01-25 21:53:57 +0000},
        Date-Modified = {2013-01-25 22:11:43 +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, A. D. J. Haymet},
        Date-Added = {2013-01-25 21:52:35 +0000},
        Date-Modified = {2013-01-25 22:11:35 +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, H. Jonsson},
        Date-Added = {2013-01-25 21:50:07 +0000},
        Date-Modified = {2013-01-25 21:52:26 +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, E. Sanz, J. L. F. Abascal},
        Date-Added = {2013-01-25 21:44:43 +0000},
        Date-Modified = {2013-01-25 22:12:30 +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, S. V. Buldyrev, H. E. Stanley},
        Date-Added = {2013-01-25 21:42:09 +0000},
        Date-Modified = {2013-01-25 21:44:12 +0000},
        Journal = {PNAS},
        Number = {52},
        Pages = {22130-22134},
        Title = {A tetrahedral entropy for water},
        Volume = {106},
        Year = {2009}}

@article{Errington01,
        Author = {J. R. Errington, P. G. Debenedetti},
        Date-Added = {2013-01-25 21:40:29 +0000},
        Date-Modified = {2013-01-25 21:41:48 +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, A. J. Hardwick},
        Date-Added = {2013-01-25 21:39:31 +0000},
        Date-Modified = {2013-01-25 21:40:24 +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, J. D. Gezelter},
        Date-Added = {2013-01-25 21:35:01 +0000},
        Date-Modified = {2013-01-25 21:36:21 +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, J. D. Gezelter},
        Date-Added = {2013-01-25 21:27:09 +0000},
        Date-Modified = {2013-01-25 22:11:56 +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{Berendsen87,
        Author = {H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma},
        Date-Added = {2013-01-25 21:04:56 +0000},
        Date-Modified = {2013-01-25 22:10:18 +0000},
        Journal = {JACS},
        Number = {24},
        Pages = {6269-6271},
        Title = {The Missing Term In Effective Pair Potentials},
        Volume = {91},
        Year = {1987}}
Revision:	3916
Committed:	Fri Jul 12 19:12:57 2013 UTC (11 years, 2 months ago) by plouden
File size:	12709 byte(s)
Log Message:	added .agr files, i hope
#	User	Rev	Content
1	gezelter	3897	%% This BibTeX bibliography file was created using BibDesk.
2			%% http://bibdesk.sourceforge.net/
3
4
5	plouden	3916	%% Created for Patrick Louden at 2013-07-11 17:35:08 -0400
6	gezelter	3897
7
8			%% Saved with string encoding Unicode (UTF-8)
9
10
11
12	plouden	3916	@article{Davidchack12,
13			Author = {Davidchack, Ruslan L. and Handel, Richard and Anwar, Jamshed and Brukhno, Andrey V.},
14			Date-Added = {2013-07-11 21:25:47 +0000},
15			Date-Modified = {2013-07-11 21:34:56 +0000},
16			Doi = {10.1021/ct300193e},
17			Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct300193e},
18			Journal = {Journal of Chemical Theory and Computation},
19			Number = {7},
20			Pages = {2383-2390},
21			Title = {Ice Ih--Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions},
22			Url = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
23			Volume = {8},
24			Year = {2012},
25			Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
26			Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct300193e}}
27	gezelter	3915
28	plouden	3916	@article{Armstrong13,
29			Author = {J. A. Armstrong, F. Bresme},
30			Date-Added = {2013-07-11 19:35:13 +0000},
31			Date-Modified = {2013-07-11 19:36:40 +0000},
32	gezelter	3915	Journal = {J. Chem. Phys.},
33	plouden	3916	Pages = {014504},
34			Title = {Water polarization induced by thermal gradients: Te extended simple point charge model (SPC/E)},
35			Volume = {139},
36			Year = {2013}}
37	gezelter	3915
38	plouden	3899	@article{Smith93,
39			Author = {P. E. Smith, W F. van Gunsteren},
40			Date-Added = {2013-06-19 17:39:04 +0000},
41			Date-Modified = {2013-06-19 17:40:01 +0000},
42			Journal = {Chem. Phys. Letters},
43			Number = {4},
44			Pages = {315-318},
45			Title = {The viscosity of SPC and SPC/E water at 277 and 300 K},
46			Volume = {215},
47			Year = {1993}}
48
49	plouden	3898	@article{Gonzalez10,
50			Author = {M. A. Gonzalez, J. L. F. Abascal},
51			Date-Added = {2013-06-19 17:30:15 +0000},
52			Date-Modified = {2013-06-19 17:31:54 +0000},
53			Journal = {J. Chem. Phys.},
54			Pages = {096101-1},
55			Title = {The shear viscosity of rigid water models},
56			Volume = {132},
57			Year = {2010}}
58
59			@article{Balasubramanian96,
60			Author = {S. Balasubramanian, C. J. Mundy, M. L. Klein},
61			Date-Added = {2013-06-19 17:28:24 +0000},
62			Date-Modified = {2013-06-19 17:29:47 +0000},
63			Journal = {J. Chem. Phys.},
64			Number = {24},
65			Pages = {11190-11195},
66			Title = {Shear viscosity of polar fluids: Molecular dynamics calculations of water},
67			Volume = {105},
68			Year = {1996}}
69
70			@article{Guo01,
71			Author = {G. Guo, Y. Zhang},
72			Date-Added = {2013-06-19 17:27:08 +0000},
73			Date-Modified = {2013-06-19 17:28:03 +0000},
74			Journal = {Molecular Physics},
75			Number = {4},
76			Pages = {283-289},
77			Title = {Equilibrium molecular dynamics calculation of the bulk viscosity of liquid water},
78			Volume = {99},
79			Year = {2001}}
80
81			@article{Hess02,
82			Author = {B. Hess},
83			Date-Added = {2013-06-19 17:19:04 +0000},
84			Date-Modified = {2013-06-19 17:20:27 +0000},
85			Journal = {J. Chem. Phys.},
86			Number = {1},
87			Pages = {209-217},
88			Title = {Determining the shear viscosity of model liquids from molecular dynamics simulations},
89			Volume = {116},
90			Year = {2002}}
91
92	gezelter	3897	@article{Balasubramanian99,
93			Author = {S. Balasubramanian, C. J. Mundy},
94			Date-Added = {2013-06-13 16:47:33 +0000},
95			Date-Modified = {2013-06-13 16:49:21 +0000},
96			Journal = {Bull. Mater. Sci.},
97			Number = {5},
98			Pages = {873-876},
99			Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
100			Volume = {22},
101			Year = {1999}}
102
103			@article{Arbuckle02,
104			Author = {B. W. Arbuckle, P. Clancy},
105			Date-Added = {2013-04-26 19:34:32 +0000},
106			Date-Modified = {2013-04-26 19:35:37 +0000},
107			Journal = {J. Chem. Phys.},
108			Number = {12},
109			Pages = {5090-5098},
110			Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
111			Volume = {116},
112			Year = {2002}}
113
114			@article{Nada95,
115			Author = {H. Nada, Y. Furukawa},
116			Date-Added = {2013-04-17 18:46:57 +0000},
117			Date-Modified = {2013-04-17 18:48:19 +0000},
118			Journal = {Jpn. J. Appl. Phys.},
119			Pages = {583-588},
120			Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
121			Volume = {34},
122			Year = {1995}}
123
124			@article{Nada00,
125			Author = {H. Nada, Y. Furukawa},
126			Date-Added = {2013-04-17 18:43:16 +0000},
127			Date-Modified = {2013-04-17 18:44:49 +0000},
128			Journal = {Surface Science},
129			Pages = {1-16},
130			Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
131			Volume = {446},
132			Year = {2000}}
133
134			@article{Hayward02,
135			Author = {J. A. Hayward, A. D. J. Haymet},
136			Date-Added = {2013-04-10 20:51:16 +0000},
137			Date-Modified = {2013-04-10 20:52:36 +0000},
138			Journal = {Phys. Chem. Chem. Phys.},
139			Pages = {3712-3719},
140			Title = {The ice/water interface: orientational order parameters for the basal, prism, {2021}, and {2110} interfaces of ice Ih},
141			Volume = {4},
142			Year = {2002}}
143
144			@article{Rick01,
145			Author = {S. W. Rick},
146			Date-Added = {2013-04-10 20:46:33 +0000},
147			Date-Modified = {2013-04-10 20:47:32 +0000},
148			Journal = {J. Chem. Phys.},
149			Number = {5},
150			Pages = {2276-2283},
151			Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
152			Volume = {114},
153			Year = {2001}}
154
155			@article{Hayward01,
156			Author = {J. A. Hayward, A. D. J. Haymet},
157			Date-Added = {2013-04-10 19:52:17 +0000},
158			Date-Modified = {2013-04-10 19:54:48 +0000},
159			Journal = {J. Chem. Phys.},
160			Number = {8},
161			Pages = {3713-3726},
162			Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {2021}, and {2110} interfaces of ice 1h},
163			Volume = {114},
164			Year = {2001}}
165
166			@article{Beaglehole93,
167			Author = {D. Beaglehole, P. Wilson},
168			Date-Added = {2013-01-25 22:22:46 +0000},
169			Date-Modified = {2013-01-25 22:23:28 +0000},
170			Journal = {J. Phys. Chem.},
171			Pages = {11053-11055},
172			Title = {Thickness and Anisotropy of the Ice-Water Interface},
173			Volume = {97},
174			Year = {1993}}
175
176			@article{Barnaal67,
177			Author = {D. E. Barnaal, I. J. Lowe},
178			Date-Added = {2013-01-25 22:17:46 +0000},
179			Date-Modified = {2013-01-25 22:22:39 +0000},
180			Journal = {J. Chem. Phys.},
181			Number = {12},
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