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@string{prl = {Phys. Rev. Lett.}} |
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@string{rmp = {Rev. Mod. Phys.}} |
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48 |
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@article{Freddolino06, |
49 |
+ |
Author = {P.~L. Freddolino and A.~S. Arkhipov and S.~B. Larson and A. McPherson and K. Schulten}, |
50 |
+ |
Date-Added = {2006-08-24 16:11:43 -0400}, |
51 |
+ |
Date-Modified = {2006-08-24 16:14:03 -0400}, |
52 |
+ |
Doi = {10.1016/j.str.2005.11.014}, |
53 |
+ |
Journal = {Structure}, |
54 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2006/Freddolino_VirusSimulation_06.pdf}, |
55 |
+ |
Pages = {437-449}, |
56 |
+ |
Title = {Molecular Dynamics Simulations of the Complete Satellite Tobacco Mosaic Virus}, |
57 |
+ |
Volume = {14}, |
58 |
+ |
Year = {2006}} |
59 |
+ |
|
60 |
+ |
@article{Gillen72, |
61 |
+ |
Author = {K.~T. Gillen and D.~C. Douglas and M.~J.~R. Hoch}, |
62 |
+ |
Date-Added = {2006-08-24 10:40:48 -0400}, |
63 |
+ |
Date-Modified = {2006-08-24 10:41:10 -0400}, |
64 |
+ |
Journal = jcp, |
65 |
+ |
Pages = {5117-5119}, |
66 |
+ |
Title = {Self-Diffusion in Liquid Water to $-31^\circ$~\uppercase{C}}, |
67 |
+ |
Volume = 57, |
68 |
+ |
Year = 1972} |
69 |
+ |
|
70 |
+ |
@book{Rothschild84, |
71 |
+ |
Address = {New York}, |
72 |
+ |
Author = {W.~G. Rothschild}, |
73 |
+ |
Date-Added = {2006-08-24 10:35:25 -0400}, |
74 |
+ |
Date-Modified = {2006-08-24 10:35:25 -0400}, |
75 |
+ |
Publisher = {John Wiley \& Sons, Inc.}, |
76 |
+ |
Title = {Dynamics of Molecular Liquids}, |
77 |
+ |
Year = 1984} |
78 |
+ |
|
79 |
+ |
@article{Krynicki66, |
80 |
+ |
Author = {K. Krynicki}, |
81 |
+ |
Date-Added = {2006-08-24 10:34:29 -0400}, |
82 |
+ |
Date-Modified = {2006-08-24 10:35:05 -0400}, |
83 |
+ |
Journal = {Physica}, |
84 |
+ |
Pages = {167-178}, |
85 |
+ |
Title = {PROTON SPIN-LATTICE RELAXATION IN PURE WATER BETWEEN 0$^\circ$\uppercase{C} AND 100$^\circ$\uppercase{C}}, |
86 |
+ |
Volume = 32, |
87 |
+ |
Year = 1966} |
88 |
+ |
|
89 |
+ |
@book{Eisenberg69, |
90 |
+ |
Address = {Oxford}, |
91 |
+ |
Author = {D. Eisenberg and W. Kauzmann}, |
92 |
+ |
Date-Added = {2006-08-24 10:33:59 -0400}, |
93 |
+ |
Date-Modified = {2006-08-24 10:33:59 -0400}, |
94 |
+ |
Publisher = {Oxford University Press}, |
95 |
+ |
Title = {The Structure and Properties of Water}, |
96 |
+ |
Year = 1969} |
97 |
+ |
|
98 |
+ |
@article{Mills73, |
99 |
+ |
Author = {R. Mills}, |
100 |
+ |
Date-Added = {2006-08-24 10:24:33 -0400}, |
101 |
+ |
Date-Modified = {2006-08-24 10:25:04 -0400}, |
102 |
+ |
Journal = jpc, |
103 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Mills_Diffuse_73.pdf}, |
104 |
+ |
Number = 5, |
105 |
+ |
Pages = {685-688}, |
106 |
+ |
Title = {Self-Diffusion in Normal and Heavy Water in the Range 1-45$^\circ$}, |
107 |
+ |
Volume = 77, |
108 |
+ |
Year = 1973} |
109 |
+ |
|
110 |
+ |
@article{Barriol64, |
111 |
+ |
Author = {J. Barriol and A. Weisbecker}, |
112 |
+ |
Date-Added = {2006-08-24 10:23:25 -0400}, |
113 |
+ |
Date-Modified = {2006-08-24 10:23:39 -0400}, |
114 |
+ |
Journal = {Compt. Rend. Acad. Sc. Paris}, |
115 |
+ |
Pages = {4643-4645}, |
116 |
+ |
Title = {Contribution \`{a} l'\'{e}tude di\'{e}lectrique des liquides associ\'{e}s par liaisons hydrog\'{e}ne}, |
117 |
+ |
Volume = 259, |
118 |
+ |
Year = 1964} |
119 |
+ |
|
120 |
+ |
@article{Badyal00, |
121 |
+ |
Author = {Y.~S. Badyal and M.~-L. Saboungi and D.~L. Price and S.~D. Shastri and D.~R. Haeffner and A.~K. Soper}, |
122 |
+ |
Date-Added = {2006-08-24 10:21:10 -0400}, |
123 |
+ |
Date-Modified = {2006-08-24 10:22:49 -0400}, |
124 |
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Journal = jcp, |
125 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Badyal_ElectronDistributionInH2O_00.pdf}, |
126 |
+ |
Number = 21, |
127 |
+ |
Pages = {9206-9208}, |
128 |
+ |
Title = {Electron distribution in water}, |
129 |
+ |
Volume = 112, |
130 |
+ |
Year = 2000} |
131 |
+ |
|
132 |
+ |
@article{Gubskaya02, |
133 |
+ |
Author = {A.~V. Gubskaya and P.~G. Kusalik}, |
134 |
+ |
Date-Added = {2006-08-24 10:17:41 -0400}, |
135 |
+ |
Date-Modified = {2006-08-24 10:18:37 -0400}, |
136 |
+ |
Journal = jcp, |
137 |
+ |
Number = 11, |
138 |
+ |
Pages = {5290-5302}, |
139 |
+ |
Title = {The total molecular dipole moment for liquid water}, |
140 |
+ |
Volume = 117, |
141 |
+ |
Year = 2002} |
142 |
+ |
|
143 |
+ |
@article{Sprik91, |
144 |
+ |
Author = {M. Sprik}, |
145 |
+ |
Date-Added = {2006-08-24 10:10:41 -0400}, |
146 |
+ |
Date-Modified = {2006-08-24 10:17:06 -0400}, |
147 |
+ |
Journal = jcp, |
148 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Sprik_HBondingAndStaticDielectricInH2O_91.pdf}, |
149 |
+ |
Number = 9, |
150 |
+ |
Pages = {6762-6769}, |
151 |
+ |
Title = {Hydrogen bonding and the static dielectric constant in liquid water}, |
152 |
+ |
Volume = 95, |
153 |
+ |
Year = 1991} |
154 |
+ |
|
155 |
+ |
@article{Nezbeda02, |
156 |
+ |
Author = {M. Lisal and J. Kolafa and I. Nezbeda}, |
157 |
+ |
Date-Added = {2006-08-24 10:08:19 -0400}, |
158 |
+ |
Date-Modified = {2006-08-24 10:08:37 -0400}, |
159 |
+ |
Journal = jcp, |
160 |
+ |
Number = 19, |
161 |
+ |
Pages = {8892-8897}, |
162 |
+ |
Title = {An examination of the five-site potential (\uppercase{TIP5P}) for water}, |
163 |
+ |
Volume = 117, |
164 |
+ |
Year = 2002} |
165 |
+ |
|
166 |
+ |
@article{Rahman72, |
167 |
+ |
Author = {A. Rahman and F.~H. Stillinger}, |
168 |
+ |
Date-Added = {2006-08-24 10:03:48 -0400}, |
169 |
+ |
Date-Modified = {2006-08-24 10:09:05 -0400}, |
170 |
+ |
Journal = jcp, |
171 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Ice_Simulations/Rahman_ProtonDistributionInIce_72.pdf}, |
172 |
+ |
Number = 9, |
173 |
+ |
Pages = {4009-4017}, |
174 |
+ |
Title = {Proton Distribution in Ice and the \uppercase{K}irkwood Correlation Factor}, |
175 |
+ |
Volume = 57, |
176 |
+ |
Year = 1972} |
177 |
+ |
|
178 |
+ |
@article{Bernal33, |
179 |
+ |
Author = {J.~D. Bernal and R.~H. Fowler}, |
180 |
+ |
Date-Added = {2006-08-24 09:58:00 -0400}, |
181 |
+ |
Date-Modified = {2006-08-24 09:59:43 -0400}, |
182 |
+ |
Journal = {J. Chem. Phys.}, |
183 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/OldPapers/Bernal_TheoryOfWater_33.pdf}, |
184 |
+ |
Number = {8}, |
185 |
+ |
Pages = {515-548}, |
186 |
+ |
Title = {A Theory of Water and Ionic Solution with Particular Reference to Hydrogen and Hydroxyl Ions}, |
187 |
+ |
Volume = {1}, |
188 |
+ |
Year = {1933}} |
189 |
+ |
|
190 |
+ |
@article{Hoover86, |
191 |
+ |
Author = {W.~G. Hoover}, |
192 |
+ |
Date-Added = {2006-08-24 09:53:21 -0400}, |
193 |
+ |
Date-Modified = {2006-08-24 09:53:21 -0400}, |
194 |
+ |
Journal = pra, |
195 |
+ |
Number = 3, |
196 |
+ |
Pages = {2499-2500}, |
197 |
+ |
Title = {Constant-pressure equations of motion}, |
198 |
+ |
Volume = 34, |
199 |
+ |
Year = 1986} |
200 |
+ |
|
201 |
+ |
@article{Fennell06, |
202 |
+ |
Author = {C.~J. Fennell and J.~D. Gezelter}, |
203 |
+ |
Date-Added = {2006-08-24 09:49:57 -0400}, |
204 |
+ |
Date-Modified = {2006-08-24 09:49:57 -0400}, |
205 |
+ |
Doi = {10.1063/1.2206581}, |
206 |
+ |
Journal = {J. Chem. Phys.}, |
207 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Fennell_PairwiseSummationMethods_06.pdf}, |
208 |
+ |
Number = {23}, |
209 |
+ |
Pages = {234104(12)}, |
210 |
+ |
Rating = {5}, |
211 |
+ |
Read = {Yes}, |
212 |
+ |
Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics}, |
213 |
+ |
Volume = {124}, |
214 |
+ |
Year = {2006}} |
215 |
+ |
|
216 |
+ |
@article{Evans77b, |
217 |
+ |
Author = {D.~J. Evans and S. Murad}, |
218 |
+ |
Date-Added = {2006-08-22 14:23:16 -0400}, |
219 |
+ |
Date-Modified = {2006-08-22 14:23:16 -0400}, |
220 |
+ |
Journal = {Mol. Phys.}, |
221 |
+ |
Pages = {327-331}, |
222 |
+ |
Title = {Singularity-free algorithm for molecular dynamics simulation of rigid polyatomics}, |
223 |
+ |
Volume = 34, |
224 |
+ |
Year = 1977} |
225 |
+ |
|
226 |
+ |
@article{Aguado03, |
227 |
+ |
Author = {A. Aguado and P.~A. Madden}, |
228 |
+ |
Date-Added = {2006-08-16 10:42:15 -0400}, |
229 |
+ |
Date-Modified = {2006-08-16 10:43:56 -0400}, |
230 |
+ |
Doi = {10.1063/1.1605941}, |
231 |
+ |
Journal = {J. Chem. Phys.}, |
232 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Aguado_MultipoleEwald_03.pdf}, |
233 |
+ |
Number = {14}, |
234 |
+ |
Pages = {7471-7483}, |
235 |
+ |
Title = {Ewald summation of electrostatic multipole interactions up to the quadrupolar level}, |
236 |
+ |
Volume = {119}, |
237 |
+ |
Year = {2003}} |
238 |
+ |
|
239 |
+ |
@article{Smith98, |
240 |
+ |
Author = {W. Smith}, |
241 |
+ |
Date-Added = {2006-08-16 10:02:44 -0400}, |
242 |
+ |
Date-Modified = {2006-08-16 10:41:23 -0400}, |
243 |
+ |
Journal = {CCP5 Information Quarterly}, |
244 |
+ |
Number = {46}, |
245 |
+ |
Title = {Point multipoles in the \uppercase{E}wald summation (Revisited)}, |
246 |
+ |
Year = {1998}} |
247 |
+ |
|
248 |
+ |
@book{Stone02, |
249 |
+ |
Author = {A.~J. Stone}, |
250 |
+ |
Date-Added = {2006-08-14 18:14:32 -0400}, |
251 |
+ |
Date-Modified = {2006-08-14 22:45:20 -0400}, |
252 |
+ |
Editor = {J.~S. Rowlinson}, |
253 |
+ |
Publisher = {Oxford University Press, Inc.}, |
254 |
+ |
Title = {The Theory of Intermolecular Forces}, |
255 |
+ |
Year = {2002}} |
256 |
+ |
|
257 |
+ |
@book{Hirschfelder67, |
258 |
+ |
Author = {J.~O. Hirschfelder and C.~F. Curtiss and R.~B. Bird}, |
259 |
+ |
Date-Added = {2006-08-14 10:15:21 -0400}, |
260 |
+ |
Date-Modified = {2006-08-14 22:45:43 -0400}, |
261 |
+ |
Editor = {M.~G. Mayer}, |
262 |
+ |
Publisher = {John Wiley \& Sons, Inc.}, |
263 |
+ |
Title = {Molecular Theory of Gases and Liquids}, |
264 |
+ |
Year = {1967}} |
265 |
+ |
|
266 |
+ |
@article{Ryckaert77, |
267 |
+ |
Author = {J.-P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen}, |
268 |
+ |
Date-Added = {2006-08-06 17:05:44 -0400}, |
269 |
+ |
Date-Modified = {2006-08-06 17:08:35 -0400}, |
270 |
+ |
Doi = {10.1016/0021-9991(77)90098-5}, |
271 |
+ |
Journal = {J. Comput. Phys.}, |
272 |
+ |
Month = {March}, |
273 |
+ |
Number = {3}, |
274 |
+ |
Pages = {327-341}, |
275 |
+ |
Title = {Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of {\it n}-alkanes}, |
276 |
+ |
Volume = {23}, |
277 |
+ |
Year = {1977}} |
278 |
+ |
|
279 |
+ |
@article{Impey82, |
280 |
+ |
Author = {R.~W. Impey and P.~A. Madden and I.~R. McDonald}, |
281 |
+ |
Date-Added = {2006-08-03 08:42:21 -0400}, |
282 |
+ |
Date-Modified = {2006-08-03 08:44:06 -0400}, |
283 |
+ |
Journal = {Mol. Phys.}, |
284 |
+ |
Number = {3}, |
285 |
+ |
Pages = {513-539}, |
286 |
+ |
Title = {Spectroscopic and transport properties of water: \uppercase{M}odel calculations and the interpretation of experimental results}, |
287 |
+ |
Volume = {46}, |
288 |
+ |
Year = {1982}} |
289 |
+ |
|
290 |
+ |
@article{Laasonen93, |
291 |
+ |
Author = {K. Laasonen and M. Sprik and M. Parrinello and R. Car}, |
292 |
+ |
Date-Added = {2006-08-02 08:23:46 -0400}, |
293 |
+ |
Date-Modified = {2006-08-02 13:09:18 -0400}, |
294 |
+ |
Journal = {J. Chem. Phys.}, |
295 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Laasonen_AbInitioLiquidWater_93.pdf}, |
296 |
+ |
Number = {11}, |
297 |
+ |
Pages = {9080-9089}, |
298 |
+ |
Title = {``{\it \uppercase{A}b initio}" liquid water}, |
299 |
+ |
Volume = {99}, |
300 |
+ |
Year = {1993}} |
301 |
+ |
|
302 |
+ |
@article{Donchev06, |
303 |
+ |
Author = {A.~G. Donchev and N.~G. Galkin and A.~A. Illarionov and O.~V. Khoruzhii and M.~A. Olevanov and M.~V. Subbotin and V.~I. Tarasov}, |
304 |
+ |
Date-Added = {2006-08-02 08:15:11 -0400}, |
305 |
+ |
Date-Modified = {2006-08-02 08:16:16 -0400}, |
306 |
+ |
Doi = {www.pnas.org/cgi/doi/10.1073/pnas.0602982103}, |
307 |
+ |
Journal = {Proc. Natl. Acad. Sci. USA}, |
308 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2006/Donchev_QuantumWater_06.pdf}, |
309 |
+ |
Number = {23}, |
310 |
+ |
Pages = {8613-8617}, |
311 |
+ |
Title = {Water properties from first principles: \uppercase{S}imulations by a general-purpose quantum mechanical polarizable force field}, |
312 |
+ |
Volume = {103}, |
313 |
+ |
Year = {2006}} |
314 |
+ |
|
315 |
+ |
@article{Malmberg56, |
316 |
+ |
Author = {G.~G. Malmberg and A.~A. Maryott}, |
317 |
+ |
Date-Added = {2006-08-01 17:19:00 -0400}, |
318 |
+ |
Date-Modified = {2006-08-02 13:16:04 -0400}, |
319 |
+ |
Journal = {J. Res. Natl. Bur. Stand.}, |
320 |
+ |
Number = {1}, |
321 |
+ |
Pages = {1-8}, |
322 |
+ |
Title = {Dielectric constant of Water from 0$^\circ$ to 100$^\circ$\uppercase{C}}, |
323 |
+ |
Volume = {56}, |
324 |
+ |
Year = {1956}} |
325 |
+ |
|
326 |
+ |
@article{Neumann80, |
327 |
+ |
Author = {M. Neumann and O. Steinhauser}, |
328 |
+ |
Date-Added = {2006-08-01 17:17:52 -0400}, |
329 |
+ |
Date-Modified = {2006-08-01 17:18:51 -0400}, |
330 |
+ |
Journal = {Mol. Phys.}, |
331 |
+ |
Number = {2}, |
332 |
+ |
Pages = {437-454}, |
333 |
+ |
Title = {The influence of boundary conditions used in machine simulations on the structure of polar systems}, |
334 |
+ |
Volume = {39}, |
335 |
+ |
Year = {1980}} |
336 |
+ |
|
337 |
+ |
@article{Neumann83, |
338 |
+ |
Author = {M. Neumann}, |
339 |
+ |
Date-Added = {2006-08-01 17:16:51 -0400}, |
340 |
+ |
Date-Modified = {2006-08-01 17:17:45 -0400}, |
341 |
+ |
Journal = {Mol. Phys.}, |
342 |
+ |
Number = {4}, |
343 |
+ |
Pages = {841-858}, |
344 |
+ |
Title = {Dipole moment fluctuation formulas in computer simulations of polar systems}, |
345 |
+ |
Volume = {50}, |
346 |
+ |
Year = {1983}} |
347 |
+ |
|
348 |
+ |
@article{Kell75, |
349 |
+ |
Author = {G.~S. Kell}, |
350 |
+ |
Date-Added = {2006-08-01 16:05:09 -0400}, |
351 |
+ |
Date-Modified = {2006-08-02 13:17:29 -0400}, |
352 |
+ |
Journal = {J. Chem. Eng. Data}, |
353 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Kell_CompressibilityAndExpansivityOfH2O_75.pdf}, |
354 |
+ |
Number = {1}, |
355 |
+ |
Pages = {91-105}, |
356 |
+ |
Title = {Density, Thermal Expansivity, and Compressibility of Liquid Water from 0$^\circ$ to 150$^\circ$\uppercase{C}: \uppercase{C}orrelations and Tables for Atmospheric Pressure and Saturation Reviewed and Expressed on 1968 Temperature Scale}, |
357 |
+ |
Volume = {20}, |
358 |
+ |
Year = {1975}} |
359 |
+ |
|
360 |
+ |
@article{Wagner02, |
361 |
+ |
Author = {W. Wagner and A. Pru{\ss}}, |
362 |
+ |
Date-Added = {2006-08-01 16:02:31 -0400}, |
363 |
+ |
Date-Modified = {2006-08-02 13:16:50 -0400}, |
364 |
+ |
Journal = {J. Phys. Chem. Ref. Data}, |
365 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Wagner_ThermodynamicPropertiesOfH2O_03.pdf}, |
366 |
+ |
Number = {2}, |
367 |
+ |
Pages = {387-535}, |
368 |
+ |
Title = {The \uppercase{IAPWS} Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use}, |
369 |
+ |
Volume = {31}, |
370 |
+ |
Year = {2002}} |
371 |
+ |
|
372 |
+ |
@article{Neumann84, |
373 |
+ |
Author = {M. Neumann and O. Steinhauser and G.~S. Pawley}, |
374 |
+ |
Date-Added = {2006-07-31 10:22:39 -0400}, |
375 |
+ |
Date-Modified = {2006-07-31 10:24:17 -0400}, |
376 |
+ |
Journal = {Mol. Phys.}, |
377 |
+ |
Number = {1}, |
378 |
+ |
Pages = {97-113}, |
379 |
+ |
Title = {Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations}, |
380 |
+ |
Volume = {52}, |
381 |
+ |
Year = {1984}} |
382 |
+ |
|
383 |
+ |
@article{Neumann85, |
384 |
+ |
Author = {M. Neumann}, |
385 |
+ |
Date-Added = {2006-07-31 10:19:17 -0400}, |
386 |
+ |
Date-Modified = {2006-08-02 13:17:58 -0400}, |
387 |
+ |
Journal = {J. Chem. Phys.}, |
388 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/DielectricConst./Neumann_H2ODielConst_85.pdf}, |
389 |
+ |
Number = {12}, |
390 |
+ |
Pages = {5663-5672}, |
391 |
+ |
Title = {The dielectric constant of water. \uppercase{C}omputer simulations with the \uppercase{MCY} potential}, |
392 |
+ |
Volume = {82}, |
393 |
+ |
Year = {1985}} |
394 |
|
|
395 |
+ |
@book{Berry00, |
396 |
+ |
Address = {New York}, |
397 |
+ |
Author = {R. Stephen Berry and Stuart A. Rice and John Ross}, |
398 |
+ |
Date-Added = {2006-07-30 14:49:40 -0400}, |
399 |
+ |
Date-Modified = {2006-07-30 14:53:08 -0400}, |
400 |
+ |
Edition = {Second}, |
401 |
+ |
Editor = {Donald G. Truhlar}, |
402 |
+ |
Publisher = {Oxford University Press, Inc.}, |
403 |
+ |
Series = {Topics in Physical Chemistry}, |
404 |
+ |
Title = {Physical Chemistry}, |
405 |
+ |
Year = {2000}} |
406 |
|
|
407 |
|
@article{Sorenson00, |
408 |
|
Author = {J.~M. Sorenson and G. Hura and R.~M. Glaeser and T. Head-Gordon}, |
452 |
|
@article{Rick04, |
453 |
|
Author = {S.~W. Rick}, |
454 |
|
Date-Added = {2006-07-18 10:49:48 -0400}, |
455 |
< |
Date-Modified = {2006-07-18 14:23:07 -0400}, |
455 |
> |
Date-Modified = {2006-08-19 19:34:36 -0400}, |
456 |
|
Doi = {10.1063/1.1652434}, |
457 |
|
Journal = {J. Chem. Phys.}, |
458 |
< |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Rick_TIP5P-Ew_04.pdf}, |
458 |
> |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Rick_TIP5P-E_04.pdf}, |
459 |
|
Number = {13}, |
460 |
|
Pages = {6085-6093}, |
461 |
|
Title = {A reoptimization of the five-site water potential (\uppercase{TIP5P}) for use with \uppercase{E}wald sums}, |
1228 |
|
Title = {On the relation between self-diffusion and viscosity of liquids}, |
1229 |
|
Volume = 79, |
1230 |
|
Year = 1983} |
872 |
– |
|
873 |
– |
@article{Zwanzig88, |
874 |
– |
Author = {R. Zwanzig}, |
875 |
– |
Journal = {Proc. Natl. Acad. Sci. USA}, |
876 |
– |
Pages = 2029, |
877 |
– |
Title = {Diffusion in rough potential}, |
878 |
– |
Volume = 85, |
879 |
– |
Year = 1988} |
1231 |
|
|
1232 |
|
@article{Stillinger95, |
1233 |
|
Author = {F.~H. Stillinger}, |
1264 |
|
Volume = 106, |
1265 |
|
Year = 1997} |
1266 |
|
|
916 |
– |
@article{Spath96, |
917 |
– |
Author = {B.~W. Spath and W.~H. Miller}, |
918 |
– |
Journal = jcp, |
919 |
– |
Pages = 95, |
920 |
– |
Title = {SEMICLASSICAL CALCULATION OF CUMULATIVE REACTION PROBABILITIES}, |
921 |
– |
Volume = 104, |
922 |
– |
Year = 1996} |
923 |
– |
|
1267 |
|
@book{Warshel91, |
1268 |
|
Address = {New York}, |
1269 |
|
Author = {Arieh Warshel}, |
1315 |
|
Title = {Mixed semiclassical-classical approaches to the dynamics of complex molecular systems}, |
1316 |
|
Year = 1997} |
1317 |
|
|
975 |
– |
@article{Keshavamurthy94, |
976 |
– |
Author = {S. Keshavamurthy and W.~H. Miller}, |
977 |
– |
Journal = cpl, |
978 |
– |
Pages = 189, |
979 |
– |
Title = {ivr}, |
980 |
– |
Volume = 218, |
981 |
– |
Year = 1994} |
982 |
– |
|
983 |
– |
@article{Billing75, |
984 |
– |
Author = {G.~D. Billing}, |
985 |
– |
Journal = cpl, |
986 |
– |
Pages = 391, |
987 |
– |
Title = {ehrenfest}, |
988 |
– |
Volume = 30, |
989 |
– |
Year = 1975} |
990 |
– |
|
1318 |
|
@article{Chang90, |
1319 |
|
Author = {Y.-T. Chang and W.~H. Miller}, |
1320 |
|
Journal = jpc, |
1395 |
|
Title = {A perfect quantum error correcting code: 5 bit code correcting a general 1 qubit error to encode 1 qubit of information}, |
1396 |
|
Volume = 98, |
1397 |
|
Year = 1996} |
1071 |
– |
|
1072 |
– |
@article{Shor95, |
1073 |
– |
Author = {P.~W. Shor}, |
1074 |
– |
Journal = {Phys. Rev. A}, |
1075 |
– |
Pages = {2493-2496}, |
1076 |
– |
Title = {SCHEME FOR REDUCING DECOHERENCE IN QUANTUM COMPUTER MEMORY}, |
1077 |
– |
Volume = 52, |
1078 |
– |
Year = 1995} |
1398 |
|
|
1399 |
|
@article{Calderbank96, |
1400 |
|
Author = {A.~R. Calderbank and P.~W. Shor}, |
1684 |
|
Title = {Qualitative vs. Quantititative Thinking: \uppercase{A}re we teaching the right thing?}, |
1685 |
|
Volume = 3, |
1686 |
|
Year = 1992} |
1368 |
– |
|
1369 |
– |
@book{Mazur97, |
1370 |
– |
Address = {New Jersey}, |
1371 |
– |
Author = {Eric Mazur}, |
1372 |
– |
Date-Modified = {2006-07-18 15:07:06 -0400}, |
1373 |
– |
Publisher = {Prentice Hall}, |
1374 |
– |
Title = {Peer Instruction: $\mbox{A}$ User's Manual}, |
1375 |
– |
Year = 1997} |
1687 |
|
|
1688 |
|
@article{Wigner55, |
1689 |
|
Author = {E.~P. Wigner}, |
1928 |
|
Volume = 46, |
1929 |
|
Year = 1992} |
1930 |
|
|
1620 |
– |
@article{Wendt78, |
1621 |
– |
Author = {H. Wendt and F.~F. Abraham}, |
1622 |
– |
Journal = prl, |
1623 |
– |
Pages = 1244, |
1624 |
– |
Volume = 41, |
1625 |
– |
Year = 1978} |
1626 |
– |
|
1931 |
|
@article{Lewis91, |
1932 |
|
Author = {L.~J. Lewis}, |
1933 |
|
Journal = prb, |
1968 |
|
Volume = 24, |
1969 |
|
Year = 1981} |
1970 |
|
|
1667 |
– |
@unpublished{Truhlar00, |
1668 |
– |
Author = {D.~G. Truhlar and A. Kohen}, |
1669 |
– |
Date-Modified = {2006-02-15 16:35:52 -0500}, |
1670 |
– |
Note = {private correspondence}, |
1671 |
– |
Year = {2000}} |
1672 |
– |
|
1971 |
|
@article{Truhlar78, |
1972 |
|
Author = {Donald G. Truhlar}, |
1973 |
|
Journal = {J. Chem. Ed.}, |
2044 |
|
Pages = {1281-1329}, |
2045 |
|
Title = {Random and Cooperative Sequential Adsorption}, |
2046 |
|
Volume = 65, |
1749 |
– |
Year = 1993} |
1750 |
– |
|
1751 |
– |
@article{Dwyer1977, |
1752 |
– |
Author = {D.~J. Dwyer and G.~W. Simmons and R.~P. Wei}, |
1753 |
– |
Journal = {Surf. Sci.}, |
1754 |
– |
Pages = 617, |
1755 |
– |
Volume = 64, |
1756 |
– |
Year = 1977} |
1757 |
– |
|
1758 |
– |
@article{Macritche78, |
1759 |
– |
Author = {F. MacRitche}, |
1760 |
– |
Date-Modified = {2006-02-15 10:27:37 -0500}, |
1761 |
– |
Journal = {Adv. Protein Chem.}, |
1762 |
– |
Pages = 283, |
1763 |
– |
Volume = 32, |
1764 |
– |
Year = 1978} |
1765 |
– |
|
1766 |
– |
@article{Feder80, |
1767 |
– |
Author = {J. Feder}, |
1768 |
– |
Date-Modified = {2006-02-15 10:17:21 -0500}, |
1769 |
– |
Journal = {J. Theor. Biol.}, |
1770 |
– |
Pages = 237, |
1771 |
– |
Volume = 87, |
1772 |
– |
Year = 1980} |
1773 |
– |
|
1774 |
– |
@article{Ramsden93, |
1775 |
– |
Author = {J.~J. Ramsden}, |
1776 |
– |
Date-Modified = {2006-02-15 10:31:03 -0500}, |
1777 |
– |
Journal = prl, |
1778 |
– |
Pages = 295, |
1779 |
– |
Volume = 71, |
2047 |
|
Year = 1993} |
2048 |
|
|
2049 |
< |
@article{Egelhoff89, |
1783 |
< |
Author = {W.~F. Egelhoff and I. Jacob}, |
1784 |
< |
Date-Modified = {2006-02-15 10:16:54 -0500}, |
1785 |
< |
Journal = prl, |
1786 |
< |
Pages = 921, |
1787 |
< |
Volume = 62, |
1788 |
< |
Year = 1989} |
1789 |
< |
|
1790 |
< |
@article{Viot92a, |
2049 |
> |
@article{Viot92, |
2050 |
|
Author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot}, |
2051 |
< |
Date-Modified = {2006-07-18 14:57:12 -0400}, |
2051 |
> |
Date-Modified = {2006-08-24 10:33:17 -0400}, |
2052 |
|
Journal = jpc, |
2053 |
|
Pages = {5212-5218}, |
2054 |
|
Title = {RANDOM SEQUENTIAL ADSORPTION OF ANISOTROPIC PARTICLES 1. \uppercase{J}AMMING LIMIT AND ASYMPTOTIC-BEHAVIOR}, |
2064 |
|
Volume = 191, |
2065 |
|
Year = 1992} |
2066 |
|
|
1808 |
– |
@article{Dobson1987, |
1809 |
– |
Author = {B.~W. Dobson}, |
1810 |
– |
Journal = prb, |
1811 |
– |
Pages = 1068, |
1812 |
– |
Volume = 36, |
1813 |
– |
Year = 1987} |
1814 |
– |
|
2067 |
|
@article{Boyer95, |
2068 |
|
Author = {D. Boyer and P. Viot and G. Tarjus and J. Talbot}, |
2069 |
|
Date-Modified = {2006-02-15 10:15:52 -0500}, |
2100 |
|
Volume = 14, |
2101 |
|
Year = 1998} |
2102 |
|
|
1851 |
– |
@article{Solomon86, |
1852 |
– |
Author = {H. Solomon and H. Weiner}, |
1853 |
– |
Date-Modified = {2006-02-15 10:10:38 -0500}, |
1854 |
– |
Journal = {Comm. Statistics A}, |
1855 |
– |
Pages = {2571-2607}, |
1856 |
– |
Title = {A REVIEW OF THE PACKING PROBLEM}, |
1857 |
– |
Volume = 15, |
1858 |
– |
Year = 1986} |
1859 |
– |
|
2103 |
|
@article{Bonnier93, |
2104 |
|
Author = {B. Bonnier and M. Hontebeyrie and C. Meyers}, |
2105 |
|
Date-Modified = {2006-02-15 10:08:35 -0500}, |
2117 |
|
Title = {Understanding Molecular Simulation: \uppercase{F}rom Algorithms to Applications}, |
2118 |
|
Year = 1996} |
2119 |
|
|
2120 |
< |
@article{Dullweber1997, |
2120 |
> |
@article{Dullweber97, |
2121 |
|
Author = {A. Dullweber and B. Leimkuhler and R. McLachlan}, |
2122 |
+ |
Date-Modified = {2006-08-24 09:55:06 -0400}, |
2123 |
|
Journal = jcp, |
2124 |
|
Number = 15, |
2125 |
|
Pages = {5840-5851}, |
2147 |
|
|
2148 |
|
@article{Liu96b, |
2149 |
|
Author = {Y. Liu and T. Ichiye}, |
2150 |
< |
Date-Modified = {2006-07-18 15:06:06 -0400}, |
2150 |
> |
Date-Modified = {2006-08-22 14:42:05 -0400}, |
2151 |
|
Journal = jpc, |
2152 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/SSDStuff/Ichiye_SSD_96.pdf}, |
2153 |
|
Pages = {2723-2730}, |
2154 |
|
Title = {Soft sticky dipole potential for liquid water: \uppercase{a} new model}, |
2155 |
|
Volume = 100, |
2156 |
|
Year = 1996} |
2157 |
|
|
2158 |
< |
@article{Liu96a, |
2158 |
> |
@article{Liu96, |
2159 |
|
Author = {Y. Liu and T. Ichiye}, |
2160 |
< |
Date-Modified = {2006-02-15 10:27:01 -0500}, |
2160 |
> |
Date-Modified = {2006-08-22 14:39:40 -0400}, |
2161 |
|
Journal = {Chem. Phys. Lett.}, |
2162 |
|
Pages = {334-340}, |
2163 |
|
Title = {The static dielectric constant of the soft sticky dipole model of liquid water: $\mbox{Monte Carlo}$ simulation}, |
2166 |
|
|
2167 |
|
@article{Chandra99, |
2168 |
|
Author = {A. Chandra and T. Ichiye}, |
2169 |
< |
Date-Modified = {2006-07-18 15:01:30 -0400}, |
2169 |
> |
Date-Modified = {2006-08-22 14:41:50 -0400}, |
2170 |
|
Journal = {J. Chem. Phys.}, |
2171 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/SSDStuff/Chandra_SSDdynamics_99.pdf}, |
2172 |
|
Number = 6, |
2173 |
|
Pages = {2701-2709}, |
2174 |
|
Title = {Dynamical properties of the soft sticky dipole model of water: \uppercase{M}olecular dynamics simulation}, |
2582 |
|
Title = {A high-quality x-ray scattering experiment on liquid water at ambient conditions}, |
2583 |
|
Volume = 113, |
2584 |
|
Year = 2000} |
2339 |
– |
|
2340 |
– |
@article{Ryckaert77, |
2341 |
– |
Author = {J.~P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen}, |
2342 |
– |
Date-Modified = {2006-07-18 15:12:28 -0400}, |
2343 |
– |
Journal = {Journal of Computational Physics}, |
2344 |
– |
Pages = {327-341}, |
2345 |
– |
Title = {Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: $\mbox{M}$olecular Dynamics of $n$-Alkanes}, |
2346 |
– |
Volume = 23, |
2347 |
– |
Year = 1977} |
2585 |
|
|
2586 |
|
@inbook{Fowles99, |
2587 |
|
Author = {G.~R. Fowles and G.~L. Cassiday}, |
2612 |
|
|
2613 |
|
@article{Holz00, |
2614 |
|
Author = {M. Holz and S.~R. Heil and A. Sacco}, |
2615 |
+ |
Date-Modified = {2006-08-06 14:07:16 -0400}, |
2616 |
|
Journal = {Phys. Chem. Chem. Phys.}, |
2617 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Holz_SelfDiffusionOfWaterFromNMR_00.pdf}, |
2618 |
|
Pages = {4740-4742}, |
2619 |
< |
Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1${\sc h} {\sc nmr pfg} measurements}, |
2619 |
> |
Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1$\uppercase{h nmr pfg} measurements}, |
2620 |
|
Volume = 2, |
2621 |
|
Year = 2000} |
2622 |
|
|
2796 |
|
Address = {Dordrecht}, |
2797 |
|
Author = {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans}, |
2798 |
|
Booktitle = {Intermolecular Forces}, |
2799 |
+ |
Date-Modified = {2006-08-02 13:23:53 -0400}, |
2800 |
|
Editor = {B. Pullman}, |
2801 |
< |
Pages = 331, |
2801 |
> |
Pages = {331-342}, |
2802 |
|
Publisher = {Reidel}, |
2803 |
|
Title = {Simple Point Charge Water}, |
2804 |
|
Year = 1981} |
2860 |
|
|
2861 |
|
@article{Onsager36, |
2862 |
|
Author = {L. Onsager}, |
2863 |
+ |
Date-Modified = {2006-08-02 10:49:57 -0400}, |
2864 |
|
Journal = jacs, |
2865 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Onsager_electMoments_36.pdf}, |
2866 |
|
Pages = {1486-1493}, |
2867 |
|
Title = {Electric Moments of Molecules in Liquids}, |
2868 |
|
Volume = 58, |
2895 |
|
|
2896 |
|
@article{Vlot99, |
2897 |
|
Author = {M.~J. Vlot and J. Huinink and J.~P. van~der~Eerden}, |
2898 |
< |
Date-Modified = {2006-07-18 15:18:07 -0400}, |
2898 |
> |
Date-Modified = {2006-08-26 23:57:49 -0400}, |
2899 |
|
Journal = jcp, |
2900 |
|
Number = 1, |
2901 |
|
Pages = {55-61}, |
2902 |
< |
Title = {Free energy calculations on systems of rigid molecules: $\mbox{A}$n application to the $\mbox{TIP4P}$ model of $\mbox{H}_2$\mbox{O}$}, |
2902 |
> |
Title = {Free energy calculations on systems of rigid molecules: \uppercase{A}n application to the \uppercase{TIP4P} model of \uppercase{H}$_2$\uppercase{O}}, |
2903 |
|
Volume = 110, |
2904 |
|
Year = 1999} |
2905 |
|
|
2933 |
|
Volume = 189, |
2934 |
|
Year = 1992} |
2935 |
|
|
2694 |
– |
@article{Mezei92, |
2695 |
– |
Author = {M. Mezei}, |
2696 |
– |
Journal = {J. Comput. Chem.}, |
2697 |
– |
Pages = 651, |
2698 |
– |
Title = {Don't Remember}, |
2699 |
– |
Volume = 13, |
2700 |
– |
Year = 1992} |
2701 |
– |
|
2702 |
– |
@article{Widom63, |
2703 |
– |
Author = {B. Widom}, |
2704 |
– |
Journal = jcp, |
2705 |
– |
Pages = 2808, |
2706 |
– |
Title = {Particle insertion}, |
2707 |
– |
Volume = 39, |
2708 |
– |
Year = 1963} |
2709 |
– |
|
2936 |
|
@article{Clancy94, |
2937 |
|
Author = {L.~A. B\'{a}ez and P. Clancy}, |
2938 |
|
Journal = jcp, |