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Comparing trunk/COonPt/firstTryBibliography.bib (file contents):
Revision 3811 by jmichalk, Thu Dec 13 22:42:37 2012 UTC vs.
Revision 3874 by jmichalk, Wed Mar 13 14:57:09 2013 UTC

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3  
4  
5 < %% Created for Joseph Michalka at 2012-12-13 15:36:41 -0500
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# Line 73 | Line 73
73   @string{ss = {Surf. Sci.}}
74  
75  
76 + @article{Au:melting,
77 +        Author = {E. Ahmed and J.I. Akhter and M. Ahmad},
78 +        Date-Added = {2013-03-13 14:10:22 +0000},
79 +        Date-Modified = {2013-03-13 14:11:17 +0000},
80 +        Journal = {Computational Materials Science},
81 +        Pages = {309-316},
82 +        Title = {Molecular dynamics study of thermal properties of noble metals},
83 +        Volume = {31},
84 +        Year = {2003}}
85 +
86 + @article{Pt:melting,
87 +        Author = {Chandrani Bhattacharya and M.K. Srivastava and S.V.G. Menon},
88 +        Date-Added = {2013-03-13 14:05:19 +0000},
89 +        Date-Modified = {2013-03-13 14:10:16 +0000},
90 +        Journal = {Physica B: Condensed Matter},
91 +        Month = {July},
92 +        Pages = {4035-4040},
93 +        Title = {Melting curves of FCC-metals by cell-theory},
94 +        Volume = {406},
95 +        Year = {2011}}
96 +
97 + @article{Peters:2000,
98 +        Author = {K.F. Peters and P. Steadman and H. Isern and J. Alvarez and S. Ferrer},
99 +        Date-Added = {2013-03-07 15:24:56 +0000},
100 +        Date-Modified = {2013-03-07 15:26:12 +0000},
101 +        Journal = {Surface Science},
102 +        Keywords = {Au CO reconstruction},
103 +        Month = {August},
104 +        Pages = {10-22},
105 +        Title = {Elevated-pressure chemical reactivity of carbon monoxide over Au(111)},
106 +        Volume = {467},
107 +        Year = {2000}}
108 +
109 + @article{Piccolo:2004,
110 +        Author = {L. Piccolo and D. Loffreda and F. J. Cadete Santos Aires and C. Deranlot and Y. Jugnet and P. Sautet and J. C. Bertolini},
111 +        Date-Added = {2013-03-06 21:18:06 +0000},
112 +        Date-Modified = {2013-03-06 21:24:15 +0000},
113 +        Journal = {Surface Science},
114 +        Keywords = {Au and (111) and CO},
115 +        Month = {June},
116 +        Pages = {995-1000},
117 +        Title = {The adsorption of CO on Au(111) at elevated pressures studied by STM, RAIRS, and DFT calculations},
118 +        Volume = {566-568},
119 +        Year = {2004}}
120 +
121 + @article{StreitzMintmire:1994,
122 +        Author = {F. H. Streitz and J. W. Mintmire},
123 +        Date-Added = {2013-02-28 15:09:44 +0000},
124 +        Date-Modified = {2013-02-28 15:11:07 +0000},
125 +        Journal = {Phys. Rev. B},
126 +        Month = {October},
127 +        Number = {16},
128 +        Pages = {11996-12003},
129 +        Title = {Electrostatic potentials for metal-oxide surfaces and interfaces},
130 +        Volume = {50},
131 +        Year = {1994}}
132 +
133 + @article{Williams:1994,
134 +        Author = {Ellen D. Williams},
135 +        Date-Added = {2013-02-20 19:36:23 +0000},
136 +        Date-Modified = {2013-02-20 19:38:05 +0000},
137 +        Journal = {Surface Science},
138 +        Pages = {502-524},
139 +        Rating = {5},
140 +        Title = {Surface steps and surface morphology: understanding macroscopic phenomena from atomic observations},
141 +        Volume = {299/300},
142 +        Year = {1994}}
143 +
144 + @article{Williams:1991,
145 +        Author = {Ellen D. Williams and N. C. Bartelt},
146 +        Date-Added = {2013-02-20 18:53:30 +0000},
147 +        Date-Modified = {2013-02-20 18:55:16 +0000},
148 +        Journal = {Science},
149 +        Keywords = {steps},
150 +        Month = {January},
151 +        Pages = {393-400},
152 +        Title = {Thermodynamics of Surface Morphology},
153 +        Volume = {251},
154 +        Year = {1991}}
155 +
156 + @article{Pearl,
157 +        Author = {T. P. Pearl and S. J. Sibener},
158 +        Date-Added = {2013-01-21 21:18:40 +0000},
159 +        Date-Modified = {2013-01-21 21:20:29 +0000},
160 +        Journal = {J. Chem. Phys.},
161 +        Keywords = {Zipper},
162 +        Month = {July},
163 +        Number = {4},
164 +        Pages = {1916},
165 +        Title = {Oxygen driven reconstruction dynamics of Ni(977) measured by time-lapse scanning tunneling microscopy},
166 +        Volume = {115},
167 +        Year = {2001}}
168 +
169 + @article{McCarthy:2012,
170 +        Author = {D. N. McCarthy and C. E. Strebel and T. P. Johansson and A. den Dunnen and A. Nierhoff and J. H. Nielsen and Ib Chorkendorff},
171 +        Date-Added = {2013-01-09 20:03:45 +0000},
172 +        Date-Modified = {2013-01-09 20:06:33 +0000},
173 +        Journal = {J. Phys. Chem. C},
174 +        Keywords = {Mobility},
175 +        Month = {June},
176 +        Pages = {15353},
177 +        Title = {Structural Modification of Platinum Model Systems under High Pressure CO Annealing},
178 +        Volume = {116},
179 +        Year = {2012}}
180 +
181 + @article{PhysRevB.13.5188,
182 +        Author = {Monkhorst, Hendrik J. and Pack, James D.},
183 +        Date-Added = {2012-12-14 16:27:06 +0000},
184 +        Date-Modified = {2012-12-14 16:27:06 +0000},
185 +        Doi = {10.1103/PhysRevB.13.5188},
186 +        Journal = prb,
187 +        Month = {Jun},
188 +        Number = {12},
189 +        Numpages = {4},
190 +        Pages = {5188--5192},
191 +        Publisher = {American Physical Society},
192 +        Title = {Special points for Brillouin-zone integrations},
193 +        Volume = {13},
194 +        Year = {1976},
195 +        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.13.5188}}
196 +
197 + @article{PhysRevB.59.1758,
198 +        Author = {Kresse, G. and Joubert, D.},
199 +        Date-Added = {2012-12-14 16:26:58 +0000},
200 +        Date-Modified = {2012-12-14 16:26:58 +0000},
201 +        Doi = {10.1103/PhysRevB.59.1758},
202 +        Journal = prb,
203 +        Month = {Jan},
204 +        Number = {3},
205 +        Numpages = {17},
206 +        Pages = {1758--1775},
207 +        Publisher = {American Physical Society},
208 +        Title = {From ultrasoft pseudopotentials to the projector augmented-wave method},
209 +        Volume = {59},
210 +        Year = {1999},
211 +        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.59.1758}}
212 +
213 + @article{PhysRevB.50.17953,
214 +        Author = {Bl\"ochl, P. E.},
215 +        Date-Added = {2012-12-14 16:26:51 +0000},
216 +        Date-Modified = {2012-12-14 16:26:51 +0000},
217 +        Doi = {10.1103/PhysRevB.50.17953},
218 +        Journal = prb,
219 +        Month = {Dec},
220 +        Number = {24},
221 +        Numpages = {26},
222 +        Pages = {17953--17979},
223 +        Publisher = {American Physical Society},
224 +        Title = {Projector augmented-wave method},
225 +        Volume = {50},
226 +        Year = {1994},
227 +        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.50.17953}}
228 +
229 + @article{Tao2008,
230 +        Author = {F. Tao and M.~E. Grass and Y. Zhang and D.~R. Butcher and J.~R. Renzas and Z. Liu and J.~Y. Chung and B. S. Mun and M. Salmeron and G.~A. Somorjai},
231 +        Date-Added = {2012-12-15 22:06:57 +0000},
232 +        Date-Modified = {2012-12-15 22:12:10 +0000},
233 +        Journal = {Science},
234 +        Month = {November},
235 +        Pages = {932},
236 +        Title = {Reaction-Driven Restructuring of Rh-Pd and Pt-Pd Core-Shell Nanoparticles},
237 +        Volume = {322},
238 +        Year = {2008}}
239 +
240 + @article{Tao2011,
241 +        Author = {F. Tao and M. Salmeron},
242 +        Date-Added = {2012-12-15 22:05:07 +0000},
243 +        Date-Modified = {2012-12-15 22:06:26 +0000},
244 +        Journal = {Science},
245 +        Month = {Jan},
246 +        Pages = {171},
247 +        Title = {In Situ Studies of Chemistry and Structure of Materials in Reactive Environments},
248 +        Volume = {331},
249 +        Year = {2011}}
250 +
251 + @article{TPD_Gold,
252 +        Author = {G. S. Elliot and D. R. Miller},
253 +        Date-Added = {2012-12-14 21:32:06 +0000},
254 +        Date-Modified = {2012-12-14 21:33:43 +0000},
255 +        Journal = {Proc. 14th Int. Symp. on Rarefied Gas Dynamics},
256 +        Pages = {349-58},
257 +        Year = {1984}}
258 +
259 + @article{Ewald,
260 +        Author = {C. J. Fennell and J. D. Gezelter},
261 +        Date-Added = {2012-12-14 04:22:33 +0000},
262 +        Date-Modified = {2012-12-14 04:23:31 +0000},
263 +        Journal = {J. Chem. Phys.},
264 +        Keywords = {Ewald and OpenMD},
265 +        Month = {June},
266 +        Pages = {234104},
267 +        Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
268 +        Volume = {124},
269 +        Year = {2006}}
270 +
271 + @article{OOPSE,
272 +        Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
273 +        Date-Added = {2012-12-14 04:19:33 +0000},
274 +        Date-Modified = {2012-12-14 04:19:40 +0000},
275 +        Doi = {10.1002/jcc.20161},
276 +        Issn = {1096-987X},
277 +        Journal = {Journal of Computational Chemistry},
278 +        Keywords = {OOPSE, molecular dynamics},
279 +        Number = {3},
280 +        Pages = {252--271},
281 +        Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
282 +        Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
283 +        Url = {http://dx.doi.org/10.1002/jcc.20161},
284 +        Volume = {26},
285 +        Year = {2005},
286 +        Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}
287 +
288 + @article{Monkhorst:1976,
289 +        Author = {Monkhorst, Hendrik J. and Pack, James D.},
290 +        Date-Added = {2012-12-14 02:25:00 +0000},
291 +        Date-Modified = {2012-12-14 02:25:11 +0000},
292 +        Doi = {10.1103/PhysRevB.13.5188},
293 +        Issue = {12},
294 +        Journal = {Phys. Rev. B},
295 +        Month = {Jun},
296 +        Pages = {5188--5192},
297 +        Publisher = {American Physical Society},
298 +        Title = {Special points for Brillouin-zone integrations},
299 +        Url = {http://link.aps.org/doi/10.1103/PhysRevB.13.5188},
300 +        Volume = {13},
301 +        Year = {1976},
302 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.13.5188},
303 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.13.5188}}
304 +
305 + @article{Perdew_GGA,
306 +        Author = {Perdew, John P. and Burke, Kieron and Ernzerhof, Matthias},
307 +        Date-Added = {2012-12-14 01:59:04 +0000},
308 +        Date-Modified = {2012-12-14 01:59:12 +0000},
309 +        Doi = {10.1103/PhysRevLett.77.3865},
310 +        Issue = {18},
311 +        Journal = {Phys. Rev. Lett.},
312 +        Month = {Oct},
313 +        Pages = {3865--3868},
314 +        Publisher = {American Physical Society},
315 +        Title = {Generalized Gradient Approximation Made Simple},
316 +        Url = {http://link.aps.org/doi/10.1103/PhysRevLett.77.3865},
317 +        Volume = {77},
318 +        Year = {1996},
319 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.77.3865},
320 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.77.3865}}
321 +
322 + @article{RRKJ_PP,
323 +        Author = {Rappe, Andrew M. and Rabe, Karin M. and Kaxiras, Efthimios and Joannopoulos, J. D.},
324 +        Date-Added = {2012-12-14 01:39:59 +0000},
325 +        Date-Modified = {2012-12-14 01:40:21 +0000},
326 +        Doi = {10.1103/PhysRevB.41.1227},
327 +        Issue = {2},
328 +        Journal = {Phys. Rev. B},
329 +        Month = {Jan},
330 +        Pages = {1227--1230},
331 +        Publisher = {American Physical Society},
332 +        Title = {Optimized pseudopotentials},
333 +        Url = {http://link.aps.org/doi/10.1103/PhysRevB.41.1227},
334 +        Volume = {41},
335 +        Year = {1990},
336 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.41.1227},
337 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.41.1227}}
338 +
339 + @article{QE-2009,
340 +        Author = {Paolo Giannozzi and Stefano Baroni and Nicola Bonini and Matteo Calandra and Roberto Car and Carlo Cavazzoni and Davide Ceresoli and Guido L Chiarotti and Matteo Cococcioni and Ismaila Dabo and Andrea {Dal Corso} and Stefano de Gironcoli and Stefano Fabris and Guido Fratesi and Ralph Gebauer and Uwe Gerstmann and Christos Gougoussis and Anton Kokalj and Michele Lazzeri and Layla Martin-Samos and Nicola Marzari and Francesco Mauri and Riccardo Mazzarello and Stefano Paolini and Alfredo Pasquarello and Lorenzo Paulatto and Carlo Sbraccia and Sandro Scandolo and Gabriele Sclauzero and Ari P Seitsonen and Alexander Smogunov and Paolo Umari and Renata M Wentzcovitch},
341 +        Date-Added = {2012-12-14 01:34:50 +0000},
342 +        Date-Modified = {2012-12-14 01:34:50 +0000},
343 +        Journal = {Journal of Physics: Condensed Matter},
344 +        Number = {39},
345 +        Pages = {395502 (19pp)},
346 +        Title = {QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials},
347 +        Url = {http://www.quantum-espresso.org},
348 +        Volume = {21},
349 +        Year = {2009},
350 +        Bdsk-Url-1 = {http://www.quantum-espresso.org}}
351 +
352   @article{Deshlahra:2012,
353          Author = {P. Deshlahra and J. Conway and E. E. Wolf and W. F. Schneider},
354          Date-Added = {2012-12-13 20:31:25 +0000},
# Line 993 | Line 1269 | and suggest a reaction mechanism which is not observed
1269          Z8 = {58},
1270          Z9 = {3909},
1271          Zb = {17},
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1273          Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.49.14251}}
1274  
1275   @article{doi:10.1126/science.1182122,

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