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Revision 2987 by chrisfen, Wed Aug 30 22:36:06 2006 UTC vs.
Revision 3016 by chrisfen, Thu Sep 21 23:21:37 2006 UTC

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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 2006-09-21 15:41:30 -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 43 | Line 43
43   @string{prl = {Phys. Rev. Lett.}}
44  
45   @string{rmp = {Rev. Mod. Phys.}}
46 +
47 +
48 + @book{Tolman38,
49 +        Address = {New York},
50 +        Author = {R.~C. Tolman},
51 +        Date-Added = {2006-09-21 15:37:16 -0400},
52 +        Date-Modified = {2006-09-21 15:41:28 -0400},
53 +        Publisher = {Oxford University Press, Inc.},
54 +        Title = {The Principles of Statistical Mechanics},
55 +        Year = {1938}}
56 +
57 + @article{Beeman76,
58 +        Author = {D. Beeman},
59 +        Date-Added = {2006-09-20 14:44:19 -0400},
60 +        Date-Modified = {2006-09-20 14:45:33 -0400},
61 +        Journal = {J. Comp. Phys.},
62 +        Pages = {130-139},
63 +        Title = {Some Multistep Methods for Use in Molecular Dynamics Calculations},
64 +        Volume = {20},
65 +        Year = {1976}}
66 +
67 + @inproceedings{Berendsen86,
68 +        Address = {North Holland, Amsterdam},
69 +        Author = {H.~J.~C. Berendsen and W.~F. {van~Gunsteren}},
70 +        Booktitle = {Molecular Dynamics Simulations of Statistical Mechanics Systems},
71 +        Date-Added = {2006-09-20 14:11:30 -0400},
72 +        Date-Modified = {2006-09-20 14:19:19 -0400},
73 +        Editor = {G. Ciccotti and W.~G. Hoover},
74 +        Pages = {43-65},
75 +        Series = {Proceedings of the 97th Int. ``Enrico Fermi" School of Physics},
76 +        Title = {Practical algorithms for dynamics simulations},
77 +        Year = {1986}}
78 +
79 + @techreport{Gear66,
80 +        Address = {Argonne, IL},
81 +        Author = {C.~W. Gear},
82 +        Date-Added = {2006-09-20 14:00:35 -0400},
83 +        Date-Modified = {2006-09-20 14:05:03 -0400},
84 +        Institution = {Argonne National Laboratory},
85 +        Number = {ANL-7126},
86 +        Title = {The Numerical Integration of Ordinary Differential Equations of Various Orders},
87 +        Year = {1966}}
88 +
89 + @article{Abascal05,
90 +        Author = {J.~L.~F. Abascal and E. Sanz and R. {Garc\'{i}a Fern\'{a}ndez} and C. Vega},
91 +        Date-Added = {2006-09-18 14:20:06 -0400},
92 +        Date-Modified = {2006-09-18 14:27:13 -0400},
93 +        Doi = {10.1063/1.1931662},
94 +        Journal = {J. Chem. Phys.},
95 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2005/Abascal_Tip4p-Ice_05.pdf},
96 +        Number = {23},
97 +        Pages = {234511},
98 +        Title = {A potential model for the study of ices and amorphous water: \uppercase{TIP4P/I}ce},
99 +        Volume = {122},
100 +        Year = {2005}}
101 +
102 + @article{Vega05,
103 +        Author = {C. Vega and E. Sanz and J.~L.~F. Abascal},
104 +        Date-Added = {2006-09-18 09:40:15 -0400},
105 +        Date-Modified = {2006-09-18 09:41:55 -0400},
106 +        Doi = {10.1063/1.1862245},
107 +        Journal = {J. Chem. Phys.},
108 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2005/Vega_MeltTempModels_05.pdf},
109 +        Number = {11},
110 +        Pages = {114507},
111 +        Title = {The melting temperature of the most common models of water},
112 +        Volume = {122},
113 +        Year = {2005}}
114 +
115 + @article{Harvey98,
116 +        Author = {S.~C. Harvey and R.~K.-Z. Tan and T.~E. {Cheatham III}},
117 +        Date-Added = {2006-09-07 00:53:34 -0400},
118 +        Date-Modified = {2006-09-07 00:55:37 -0400},
119 +        Journal = {J. Comp. Chem.},
120 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Harvey_FlyingIceCube_98.pdf},
121 +        Number = {7},
122 +        Pages = {726-740},
123 +        Title = {The Flying Ice Cube: \uppercase{V}elocity Rescaling in Molecular Dynamics Leads to Violation of Energy Equipartition},
124 +        Volume = {19},
125 +        Year = {1998}}
126 +
127 + @article{Verlet68,
128 +        Author = {L. Verlet},
129 +        Date-Added = {2006-09-06 12:19:09 -0400},
130 +        Date-Modified = {2006-09-20 14:22:53 -0400},
131 +        Journal = {Phys. Rev.},
132 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Verlet_EqCorrFunc_67.pdf},
133 +        Number = {1},
134 +        Pages = {201-214},
135 +        Title = {Computer ``Experiments" on Classical Fluids. \uppercase{II. E}quilibrium Correlation Functions},
136 +        Volume = {165},
137 +        Year = {1968}}
138 +
139 + @article{Verlet67,
140 +        Author = {L. Verlet},
141 +        Date-Added = {2006-09-06 12:16:19 -0400},
142 +        Date-Modified = {2006-09-20 14:22:43 -0400},
143 +        Journal = {Phys. Rev.},
144 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Verlet_ClassicalFluids_67.pdf},
145 +        Number = {1},
146 +        Pages = {98-103},
147 +        Title = {Computer ``Experiments" on Classical Fluids. \uppercase{I. T}hermodynamic Properties of \uppercase{L}ennard-\uppercase{J}ones Molecules},
148 +        Volume = {159},
149 +        Year = {1967}}
150  
151 + @article{Thompson83,
152 +        Author = {C.~J. Thompson},
153 +        Date-Added = {2006-09-06 11:59:49 -0400},
154 +        Date-Modified = {2006-09-06 12:02:07 -0400},
155 +        Journal = {CCP5 Quarterly},
156 +        Pages = {20-28},
157 +        Title = {Use of neighbor lists in molecular dynamics},
158 +        Volume = {8},
159 +        Year = {1983}}
160  
161 + @article{Krautler01,
162 +        Author = {V. Kr\"{a}utler and W.~F. {van Gunsteren} and P.~H. H\"{u}nenberger},
163 +        Date-Added = {2006-09-04 00:17:15 -0400},
164 +        Date-Modified = {2006-09-04 00:29:36 -0400},
165 +        Journal = {J. Comp. Chem.},
166 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Krautler_FastSHAKE_01.pdf},
167 +        Number = {5},
168 +        Pages = {501-508},
169 +        Title = {A Fast \uppercase{SHAKE} Algorithm to Solve Distance Constraint Equations for Small Molecules in Molecular Dynamics Simulations},
170 +        Volume = {22},
171 +        Year = {2001}}
172 +
173 + @article{Swope82,
174 +        Author = {W.~C. Swope and H.~C. Andersen and P.~H. Berens and K.~R. Wilson},
175 +        Date-Added = {2006-09-03 21:47:42 -0400},
176 +        Date-Modified = {2006-09-03 21:50:26 -0400},
177 +        Journal = {J. Chem. Phys.},
178 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Swope_VelocityVerlet_82.pdf},
179 +        Number = {1},
180 +        Pages = {637-649},
181 +        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},
182 +        Volume = {76},
183 +        Year = {1982}}
184 +
185 + @article{Trotter59,
186 +        Author = {H.~F. Trotter},
187 +        Date-Added = {2006-09-03 18:05:35 -0400},
188 +        Date-Modified = {2006-09-03 18:07:32 -0400},
189 +        Journal = {Proc. Am. Math Soc.},
190 +        Pages = {545-551},
191 +        Title = {On the product of Semi-Groups of Operators},
192 +        Volume = {10},
193 +        Year = {1959}}
194 +
195 + @article{Barojas73,
196 +        Author = {J. Barojas and D. Levesque and B. Quentrec},
197 +        Date-Added = {2006-09-03 14:32:02 -0400},
198 +        Date-Modified = {2006-09-03 14:34:00 -0400},
199 +        Journal = {Phys. Rev. A},
200 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/OldPapers/Barojas_EulerSwitch_73.pdf},
201 +        Number = {3},
202 +        Pages = {1092-1105},
203 +        Title = {Simulation of Diatomic Homonuclear Liquids},
204 +        Volume = {7},
205 +        Year = {1973}}
206 +
207   @article{Mezei92,
208          Author = {M. Mezei},
209          Date-Added = {2006-08-28 07:48:49 -0400},
# Line 314 | Line 473
473   @article{Ryckaert77,
474          Author = {J.-P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen},
475          Date-Added = {2006-08-06 17:05:44 -0400},
476 <        Date-Modified = {2006-08-06 17:08:35 -0400},
476 >        Date-Modified = {2006-09-05 22:29:01 -0400},
477          Doi = {10.1016/0021-9991(77)90098-5},
478 <        Journal = {J. Comput. Phys.},
478 >        Journal = {J. Comp. Phys.},
479          Month = {March},
480          Number = {3},
481          Pages = {327-341},
# Line 607 | Line 766
766   @article{Rokhlin85,
767          Author = {V. Rokhlin},
768          Date-Added = {2006-03-19 20:02:25 -0500},
769 <        Date-Modified = {2006-03-19 20:04:19 -0500},
769 >        Date-Modified = {2006-09-05 22:30:02 -0400},
770          Doi = {10.1016/0021-9991(85)90002-6},
771 <        Journal = {J. Comput. Phys.},
771 >        Journal = {J. Comp. Phys.},
772          Month = {September},
773          Number = {2},
774          Pages = {187-207},
# Line 991 | Line 1150
1150   @article{Steinbach94,
1151          Author = {P.~J. Steinbach and B.~R. Brooks},
1152          Date-Added = {2006-03-12 19:26:45 -0500},
1153 <        Date-Modified = {2006-03-12 19:29:43 -0500},
1153 >        Date-Modified = {2006-09-05 22:30:22 -0400},
1154          Doi = {10.1002/jcc.540150702},
1155 <        Journal = {J. Comput. Chem.},
1155 >        Journal = {J. Comp. Chem.},
1156          Number = {7},
1157          Pages = {667-683},
1158          Title = {New spherical-cutoff methods for long-range forces in macromolecular simulation},
# Line 2131 | Line 2290
2290          Volume = 198,
2291          Year = 1993}
2292  
2293 < @book{Frenkel96,
2293 > @book{Frenkel02,
2294          Address = {New York},
2295          Author = {D. Frenkel and B. Smit},
2296 <        Date-Modified = {2006-07-18 15:02:21 -0400},
2296 >        Date-Modified = {2006-09-05 18:18:32 -0400},
2297 >        Edition = {2nd},
2298          Publisher = {Academic Press},
2299          Title = {Understanding Molecular Simulation: \uppercase{F}rom Algorithms to Applications},
2300 <        Year = 1996}
2300 >        Year = 2002}
2301  
2302   @article{Dullweber97,
2303          Author = {A. Dullweber and B. Leimkuhler and R. McLachlan},
# Line 2588 | Line 2748
2748  
2749   @article{Andersen83,
2750          Author = {H.~C. Andersen},
2751 <        Date-Modified = {2006-07-18 14:59:26 -0400},
2752 <        Journal = {Journal of Computational Physics},
2751 >        Date-Modified = {2006-09-05 22:28:45 -0400},
2752 >        Journal = {J. Comp. Phys.},
2753          Pages = {24-34},
2754          Title = {\uppercase{RATTLE: A} Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations},
2755          Volume = 52,
# Line 2788 | Line 2948
2948  
2949   @article{Smith96,
2950          Author = {W. Smith and T. Forester},
2951 <        Date-Modified = {2006-07-18 14:56:36 -0400},
2951 >        Date-Modified = {2006-09-07 14:48:19 -0400},
2952          Journal = {J. Molec. Graphics.},
2953          Number = 3,
2954          Pages = {136-141},
2955 <        Title = {\uppercase{DL_POLY_2.0: A} general-purpose parallel molecular dynamics simulation package},
2955 >        Title = {\uppercase{DL\_POLY\_2.0: A} general-purpose parallel molecular dynamics simulation package},
2956          Volume = 14,
2957          Year = 1996}
2958  

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