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Revision 2987 by chrisfen, Wed Aug 30 22:36:06 2006 UTC vs.
Revision 3004 by chrisfen, Mon Sep 18 20:32:11 2006 UTC

# Line 2 | Line 2
2   %% http://bibdesk.sourceforge.net/
3  
4  
5 < %% Created for Chris Fennell at 2006-08-28 10:33:08 -0400
5 > %% Created for Chris Fennell at 2006-09-18 14:27:22 -0400
6  
7  
8   %% Saved with string encoding Western (ASCII)
# Line 16 | Line 16
16  
17   @string{jacs = {J. Am. Chem. Soc.}}
18  
19 < @string{jcc = {J. Comput. Chem.}}
19 > @string{jcc = {J. Comp. Chem.}}
20  
21   @string{jcp = {J. Chem. Phys.}}
22  
# Line 45 | Line 45
45   @string{rmp = {Rev. Mod. Phys.}}
46  
47  
48 + @article{Abascal05,
49 +        Author = {J.~L.~F. Abascal and E. Sanz and R. {Garc\'{i}a Fern\'{a}ndez} and C. Vega},
50 +        Date-Added = {2006-09-18 14:20:06 -0400},
51 +        Date-Modified = {2006-09-18 14:27:13 -0400},
52 +        Doi = {10.1063/1.1931662},
53 +        Journal = {J. Chem. Phys.},
54 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2005/Abascal_Tip4p-Ice_05.pdf},
55 +        Number = {23},
56 +        Pages = {234511},
57 +        Title = {A potential model for the study of ices and amorphous water: \uppercase{TIP4P/I}ce},
58 +        Volume = {122},
59 +        Year = {2005}}
60 +
61 + @article{Vega05,
62 +        Author = {C. Vega and E. Sanz and J.~L.~F. Abascal},
63 +        Date-Added = {2006-09-18 09:40:15 -0400},
64 +        Date-Modified = {2006-09-18 09:41:55 -0400},
65 +        Doi = {10.1063/1.1862245},
66 +        Journal = {J. Chem. Phys.},
67 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2005/Vega_MeltTempModels_05.pdf},
68 +        Number = {11},
69 +        Pages = {114507},
70 +        Title = {The melting temperature of the most common models of water},
71 +        Volume = {122},
72 +        Year = {2005}}
73 +
74 + @article{Harvey98,
75 +        Author = {S.~C. Harvey and R.~K.-Z. Tan and T.~E. {Cheatham III}},
76 +        Date-Added = {2006-09-07 00:53:34 -0400},
77 +        Date-Modified = {2006-09-07 00:55:37 -0400},
78 +        Journal = {J. Comp. Chem.},
79 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Harvey_FlyingIceCube_98.pdf},
80 +        Number = {7},
81 +        Pages = {726-740},
82 +        Title = {The Flying Ice Cube: \uppercase{V}elocity Rescaling in Molecular Dynamics Leads to Violation of Energy Equipartition},
83 +        Volume = {19},
84 +        Year = {1998}}
85 +
86 + @article{Verlet68,
87 +        Author = {L. Verlet},
88 +        Date-Added = {2006-09-06 12:19:09 -0400},
89 +        Date-Modified = {2006-09-06 12:21:04 -0400},
90 +        Journal = {Phys. Rev.},
91 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Verlet_EqCorrFunc_67.pdf},
92 +        Number = {1},
93 +        Pages = {201-214},
94 +        Title = {Computer "Experiments" on Classical Fluids. \uppercase{II. E}quilibrium Correlation Functions},
95 +        Volume = {165},
96 +        Year = {1968}}
97 +
98 + @article{Verlet67,
99 +        Author = {L. Verlet},
100 +        Date-Added = {2006-09-06 12:16:19 -0400},
101 +        Date-Modified = {2006-09-06 12:18:57 -0400},
102 +        Journal = {Phys. Rev.},
103 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Verlet_ClassicalFluids_67.pdf},
104 +        Number = {1},
105 +        Pages = {98-103},
106 +        Title = {Computer "Experiments" on Classical Fluids. \uppercase{I. T}hermodynamic Properties of \uppercase{L}ennard-\uppercase{J}ones Molecules},
107 +        Volume = {159},
108 +        Year = {1967}}
109 +
110 + @article{Thompson83,
111 +        Author = {C.~J. Thompson},
112 +        Date-Added = {2006-09-06 11:59:49 -0400},
113 +        Date-Modified = {2006-09-06 12:02:07 -0400},
114 +        Journal = {CCP5 Quarterly},
115 +        Pages = {20-28},
116 +        Title = {Use of neighbor lists in molecular dynamics},
117 +        Volume = {8},
118 +        Year = {1983}}
119 +
120 + @article{Krautler01,
121 +        Author = {V. Kr\"{a}utler and W.~F. {van Gunsteren} and P.~H. H\"{u}nenberger},
122 +        Date-Added = {2006-09-04 00:17:15 -0400},
123 +        Date-Modified = {2006-09-04 00:29:36 -0400},
124 +        Journal = {J. Comp. Chem.},
125 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Krautler_FastSHAKE_01.pdf},
126 +        Number = {5},
127 +        Pages = {501-508},
128 +        Title = {A Fast \uppercase{SHAKE} Algorithm to Solve Distance Constraint Equations for Small Molecules in Molecular Dynamics Simulations},
129 +        Volume = {22},
130 +        Year = {2001}}
131 +
132 + @article{Swope82,
133 +        Author = {W.~C. Swope and H.~C. Andersen and P.~H. Berens and K.~R. Wilson},
134 +        Date-Added = {2006-09-03 21:47:42 -0400},
135 +        Date-Modified = {2006-09-03 21:50:26 -0400},
136 +        Journal = {J. Chem. Phys.},
137 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Swope_VelocityVerlet_82.pdf},
138 +        Number = {1},
139 +        Pages = {637-649},
140 +        Title = {A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: \uppercase{A}pplication to small water clusters},
141 +        Volume = {76},
142 +        Year = {1982}}
143 +
144 + @article{Trotter59,
145 +        Author = {H.~F. Trotter},
146 +        Date-Added = {2006-09-03 18:05:35 -0400},
147 +        Date-Modified = {2006-09-03 18:07:32 -0400},
148 +        Journal = {Proc. Am. Math Soc.},
149 +        Pages = {545-551},
150 +        Title = {On the product of Semi-Groups of Operators},
151 +        Volume = {10},
152 +        Year = {1959}}
153 +
154 + @article{Barojas73,
155 +        Author = {J. Barojas and D. Levesque and B. Quentrec},
156 +        Date-Added = {2006-09-03 14:32:02 -0400},
157 +        Date-Modified = {2006-09-03 14:34:00 -0400},
158 +        Journal = {Phys. Rev. A},
159 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/OldPapers/Barojas_EulerSwitch_73.pdf},
160 +        Number = {3},
161 +        Pages = {1092-1105},
162 +        Title = {Simulation of Diatomic Homonuclear Liquids},
163 +        Volume = {7},
164 +        Year = {1973}}
165 +
166   @article{Mezei92,
167          Author = {M. Mezei},
168          Date-Added = {2006-08-28 07:48:49 -0400},
# Line 314 | Line 432
432   @article{Ryckaert77,
433          Author = {J.-P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen},
434          Date-Added = {2006-08-06 17:05:44 -0400},
435 <        Date-Modified = {2006-08-06 17:08:35 -0400},
435 >        Date-Modified = {2006-09-05 22:29:01 -0400},
436          Doi = {10.1016/0021-9991(77)90098-5},
437 <        Journal = {J. Comput. Phys.},
437 >        Journal = {J. Comp. Phys.},
438          Month = {March},
439          Number = {3},
440          Pages = {327-341},
# Line 607 | Line 725
725   @article{Rokhlin85,
726          Author = {V. Rokhlin},
727          Date-Added = {2006-03-19 20:02:25 -0500},
728 <        Date-Modified = {2006-03-19 20:04:19 -0500},
728 >        Date-Modified = {2006-09-05 22:30:02 -0400},
729          Doi = {10.1016/0021-9991(85)90002-6},
730 <        Journal = {J. Comput. Phys.},
730 >        Journal = {J. Comp. Phys.},
731          Month = {September},
732          Number = {2},
733          Pages = {187-207},
# Line 991 | Line 1109
1109   @article{Steinbach94,
1110          Author = {P.~J. Steinbach and B.~R. Brooks},
1111          Date-Added = {2006-03-12 19:26:45 -0500},
1112 <        Date-Modified = {2006-03-12 19:29:43 -0500},
1112 >        Date-Modified = {2006-09-05 22:30:22 -0400},
1113          Doi = {10.1002/jcc.540150702},
1114 <        Journal = {J. Comput. Chem.},
1114 >        Journal = {J. Comp. Chem.},
1115          Number = {7},
1116          Pages = {667-683},
1117          Title = {New spherical-cutoff methods for long-range forces in macromolecular simulation},
# Line 2131 | Line 2249
2249          Volume = 198,
2250          Year = 1993}
2251  
2252 < @book{Frenkel96,
2252 > @book{Frenkel02,
2253          Address = {New York},
2254          Author = {D. Frenkel and B. Smit},
2255 <        Date-Modified = {2006-07-18 15:02:21 -0400},
2255 >        Date-Modified = {2006-09-05 18:18:32 -0400},
2256 >        Edition = {2nd},
2257          Publisher = {Academic Press},
2258          Title = {Understanding Molecular Simulation: \uppercase{F}rom Algorithms to Applications},
2259 <        Year = 1996}
2259 >        Year = 2002}
2260  
2261   @article{Dullweber97,
2262          Author = {A. Dullweber and B. Leimkuhler and R. McLachlan},
# Line 2588 | Line 2707
2707  
2708   @article{Andersen83,
2709          Author = {H.~C. Andersen},
2710 <        Date-Modified = {2006-07-18 14:59:26 -0400},
2711 <        Journal = {Journal of Computational Physics},
2710 >        Date-Modified = {2006-09-05 22:28:45 -0400},
2711 >        Journal = {J. Comp. Phys.},
2712          Pages = {24-34},
2713          Title = {\uppercase{RATTLE: A} Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations},
2714          Volume = 52,
# Line 2788 | Line 2907
2907  
2908   @article{Smith96,
2909          Author = {W. Smith and T. Forester},
2910 <        Date-Modified = {2006-07-18 14:56:36 -0400},
2910 >        Date-Modified = {2006-09-07 14:48:19 -0400},
2911          Journal = {J. Molec. Graphics.},
2912          Number = 3,
2913          Pages = {136-141},
2914 <        Title = {\uppercase{DL_POLY_2.0: A} general-purpose parallel molecular dynamics simulation package},
2914 >        Title = {\uppercase{DL\_POLY\_2.0: A} general-purpose parallel molecular dynamics simulation package},
2915          Volume = 14,
2916          Year = 1996}
2917  

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