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11
12	+	@article{Angelani98,
13	+	Author = {L. Angelani and G. Parisi and G. Ruocco and G. Viliani},
14	+	Date-Added = {2009-02-26 17:25:55 -0500},
15	+	Date-Modified = {2009-02-26 17:25:55 -0500},
16	+	Journal = prl,
17	+	Number = 21,
18	+	Pages = {4648-4651},
19	+	Title = {Connected Network of Minima as a Model Glass: Long Time Dynamics},
20	+	Volume = 81,
21	+	Year = 1998}
22	+
23	+	@article{FRISCH:1984dp,
24	+	Address = {CIRCULATION FULFILLMENT DIV, 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2999},
25	+	Author = {Frisch, MJ and Pople, JA and Binkley, JS},
26	+	Date = {1984},
27	+	Date-Added = {2009-01-26 13:18:11 -0500},
28	+	Date-Modified = {2009-01-26 13:18:40 -0500},
29	+	Journal = {J. Chem. Phys.},
30	+	Pages = {3265-3269},
31	+	Publisher = {AMER INST PHYSICS},
32	+	Timescited = {3064},
33	+	Title = {SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS},
34	+	Volume = {80},
35	+	Year = {1984}}
36	+
37	+	@article{CLARK:1983sb,
38	+	Address = {605 THIRD AVE, NEW YORK, NY 10158-0012},
39	+	Author = {Clark, T and Chandrasekhar, J and Spitznagel, GW and Schleyer, PV},
40	+	Date = {1983},
41	+	Date-Added = {2009-01-26 13:16:54 -0500},
42	+	Date-Modified = {2009-01-26 13:17:55 -0500},
43	+	Journal = {J. Comp. Chem.},
44	+	Pages = {294-301},
45	+	Publisher = {JOHN WILEY \& SONS INC},
46	+	Timescited = {2661},
47	+	Title = {EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS-SETS FOR ANION CALCULATIONS .3. THE 3-21+G BASIS SET FOR 1ST-ROW ELEMENTS, LI-F},
48	+	Volume = {4},
49	+	Year = {1983}}
50	+
51	+	@article{KRISHNAN:1980aw,
52	+	Address = {CIRCULATION FULFILLMENT DIV, 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2999},
53	+	Author = {Krishnan, R and Binkley JS and Seeger, R and Pople, JA},
54	+	Date = {1980},
55	+	Date-Added = {2009-01-26 13:15:54 -0500},
56	+	Date-Modified = {2009-01-26 13:16:35 -0500},
57	+	Journal = {J. Chem. Phys.},
58	+	Pages = {650-654},
59	+	Publisher = {AMER INST PHYSICS},
60	+	Timescited = {4333},
61	+	Title = {SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS},
62	+	Volume = {72},
63	+	Year = {1980}}
64	+
65	+	@article{MCLEAN:1980xi,
66	+	Address = {CIRCULATION FULFILLMENT DIV, 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2999},
67	+	Author = {Mclean, AD and Chandler, GS},
68	+	Date = {1980},
69	+	Date-Added = {2009-01-26 13:15:20 -0500},
70	+	Date-Modified = {2009-01-26 13:15:41 -0500},
71	+	Journal = {J. Chem. Phys.},
72	+	Pages = {5639-5648},
73	+	Publisher = {AMER INST PHYSICS},
74	+	Timescited = {2663},
75	+	Title = {CONTRACTED GAUSSIAN-BASIS SETS FOR MOLECULAR CALCULATIONS .1. 2ND ROW ATOMS, Z=11-18},
76	+	Volume = {72},
77	+	Year = {1980}}
78	+
79	+	@misc{LACV3P,
80	+	Date-Added = {2009-01-26 13:15:05 -0500},
81	+	Date-Modified = {2009-01-26 13:26:04 -0500},
82	+	Title = {The LACV3P basis set is a triple-zeta contraction of the LACVP basis set developed and tested at Schr{\"o}dinger, Inc.}}
83	+
84	+	@article{HAY:1985xt,
85	+	Address = {CIRCULATION FULFILLMENT DIV, 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2999},
86	+	Author = {Hay, PJ and Wadt, WR},
87	+	Date = {1985},
88	+	Date-Added = {2009-01-26 13:14:01 -0500},
89	+	Date-Modified = {2009-01-26 13:14:28 -0500},
90	+	Journal = {J. Chem. Phys.},
91	+	Pages = {299-310},
92	+	Publisher = {AMER INST PHYSICS},
93	+	Timescited = {4751},
94	+	Title = {ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS - POTENTIALS FOR K TO AU INCLUDING THE OUTERMOST CORE ORBITALS},
95	+	Volume = {82},
96	+	Year = {1985}}
97	+
98	+	@inbook{Perdew1991,
99	+	Address = {Berlin},
100	+	Author = {Perdew, J. P.},
101	+	Date-Added = {2009-01-26 13:11:51 -0500},
102	+	Date-Modified = {2009-01-26 13:11:51 -0500},
103	+	Editor = {P. Ziesche and H. Eschrig},
104	+	Pages = {11},
105	+	Publisher = {Akademie Verlag},
106	+	Series = {Electronic Structure of Solids},
107	+	Title = {Unified Theory of Exchange and Correlation Beyond the Local Density Approximation},
108	+	Year = {1991}}
109	+
110	+	@misc{PERDEW:1992xi,
111	+	Abstract = {Generalized gradient approximations (GGA's) seek to improve upon the accuracy of the local-spin-density (LSD) approximation in electronic-structure calculations. Perdew and Wang have developed a GGA based on real-space cutoff of the spurious long-range components of the second-order gradient expansion for the exchange-correlation hole. We have found that this density functional performs well in numerical tests for a variety of systems: (1) Total energies of 30 atoms are highly accurate. (2) Ionization energies and electron affinities are improved in a statistical sense, although significant interconfigurational and interterm errors remain. (3) Accurate atomization energies are found for seven hydrocarbon molecules, with a rms error per bond of 0.1 eV, compared with 0.7 eV for the LSD approximation and 2.4 eV for the Hartree-Fock approximation. (4) For atoms and molecules, there is a cancellation of error between density functionals for exchange and correlation, which is most striking whenever the Hartree-Fock result is furthest from experiment. (5) The surprising LSD underestimation of the lattice constants of Li and Na by 3-4 \% is corrected, and the magnetic ground state of solid Fe is restored. (6) The work function, surface energy (neglecting the long-range contribution), and curvature energy of a metallic surface are all slightly reduced in comparison with LSD. Taking account of the positive long-range contribution, we find surface and curvature energies in good agreement with experimental or exact values. Finally, a way is found to visualize and understand the nonlocality of exchange and correlation, its origins, and its physical effects.},
112	+	Address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA},
113	+	Author = {Perdew, JP and Chevary, JA and Vosko, SH and Jackson, KA and Pederson MR and Singh, DJ and Fiolhais, C},
114	+	Date = {SEP 15 1992},
115	+	Date-Added = {2009-01-26 13:11:51 -0500},
116	+	Date-Modified = {2009-01-26 13:13:37 -0500},
117	+	Note = {Physical Review B},
118	+	Pages = {6671-6687},
119	+	Publisher = {AMERICAN PHYSICAL SOC},
120	+	Timescited = {5630},
121	+	Title = {ATOMS, MOLECULES, SOLIDS, AND SURFACES - APPLICATIONS OF THE GENERALIZED GRADIENT APPROXIMATION FOR EXCHANGE AND CORRELATION},
122	+	Volume = {46},
123	+	Year = {1992}}
124	+
125	+	@book{Slater,
126	+	Address = {New York},
127	+	Author = {Slater, J. C.},
128	+	Date-Added = {2009-01-26 13:11:09 -0500},
129	+	Date-Modified = {2009-01-26 13:11:09 -0500},
130	+	Publisher = {McGraw-Hill},
131	+	Title = {Quantum Theory of Molecules and Solids Vol. 4: The Self-Consistent Field for Molecules and Solids},
132	+	Year = {1974}}
133	+
134	+	@article{PhysRevB.13.5188,
135	+	Author = {Monkhorst, Hendrik J. and Pack, James D.},
136	+	Date-Added = {2009-01-26 13:08:59 -0500},
137	+	Date-Modified = {2009-01-26 13:10:47 -0500},
138	+	Journal = {Phys. Rev. B},
139	+	Month = {Jun},
140	+	Number = {12},
141	+	Numpages = {4},
142	+	Pages = {5188--5192},
143	+	Publisher = {American Physical Society},
144	+	Title = {Special points for Brillouin-zone integrations},
145	+	Volume = {13},
146	+	Year = {1976},
147	+	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.13.5188}}
148	+
149	+	@article{PhysRevB.45.13244,
150	+	Author = {Perdew, John P. and Wang, Yue },
151	+	Date-Added = {2009-01-26 13:08:50 -0500},
152	+	Date-Modified = {2009-01-26 13:09:47 -0500},
153	+	Journal = {Phys. Rev. B},
154	+	Month = {Jun},
155	+	Number = {23},
156	+	Numpages = {5},
157	+	Pages = {13244--13249},
158	+	Publisher = {American Physical Society},
159	+	Title = {Accurate and simple analytic representation of the electron-gas correlation energy},
160	+	Volume = {45},
161	+	Year = {1992},
162	+	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.45.13244}}
163	+
164	+	@article{PhysRevB.46.6671,
165	+	Author = {Perdew, John P. and Chevary, J. A. and Vosko, S. H. and Jackson, Koblar A. and Pederson, Mark R. and Singh, D. J. and Fiolhais, Carlos },
166	+	Date-Added = {2009-01-26 13:08:50 -0500},
167	+	Date-Modified = {2009-01-26 13:10:00 -0500},
168	+	Journal = {Phys. Rev. B},
169	+	Month = {Sep},
170	+	Number = {11},
171	+	Numpages = {16},
172	+	Pages = {6671--6687},
173	+	Publisher = {American Physical Society},
174	+	Title = {Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation},
175	+	Volume = {46},
176	+	Year = {1992},
177	+	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.46.6671}}
178	+
179	+	@article{PhysRevB.59.1758,
180	+	Author = {Kresse, G. and Joubert, D. },
181	+	Date-Added = {2009-01-26 13:08:33 -0500},
182	+	Date-Modified = {2009-01-26 13:10:15 -0500},
183	+	Journal = {Phys. Rev. B},
184	+	Month = {Jan},
185	+	Number = {3},
186	+	Numpages = {17},
187	+	Pages = {1758--1775},
188	+	Publisher = {American Physical Society},
189	+	Title = {From ultrasoft pseudopotentials to the projector augmented-wave method},
190	+	Volume = {59},
191	+	Year = {1999},
192	+	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.59.1758}}
193	+
194	+	@article{PhysRevB.50.17953,
195	+	Author = {Bl\"ochl, P. E.},
196	+	Date-Added = {2009-01-26 13:08:33 -0500},
197	+	Date-Modified = {2009-01-26 13:10:29 -0500},
198	+	Journal = {Phys. Rev. B},
199	+	Month = {Dec},
200	+	Number = {24},
201	+	Numpages = {26},
202	+	Pages = {17953--17979},
203	+	Publisher = {American Physical Society},
204	+	Title = {Projector augmented-wave method},
205	+	Volume = {50},
206	+	Year = {1994},
207	+	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.50.17953}}
208	+
209	+	@article{Kresse:1996zm,
210	+	Author = {Kresse, G. and Furthm{\"u}ller, J.},
211	+	Date-Added = {2009-01-26 13:07:52 -0500},
212	+	Date-Modified = {2009-01-26 13:07:52 -0500},
213	+	Journal = {Computational Materials Science},
214	+	Number = {1},
215	+	Pages = {15--50},
216	+	Title = {Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set},
217	+	Ty = {JOUR},
218	+	Volume = {6},
219	+	Year = {1996},
220	+	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/1/4a2d93f8bf028203df942b4b603e16e3}}
221	+
222	+	@article{liu96:new_model,
223	+	Author = {Y. Liu and T. Ichiye},
224	+	Date-Added = {2009-01-25 12:07:41 -0500},
225	+	Date-Modified = {2009-01-25 21:53:35 -0500},
226	+	Journal = {J. Phys. Chem.},
227	+	Pages = {2723-2730},
228	+	Title = {Soft sticky dipole potential for liquid water: a new model},
229	+	Volume = 100,
230	+	Year = 1996}
231	+
232	+	@article{Bratko85,
233	+	Author = {D. Bratko and L. Blum and A. Luzar},
234	+	Date-Added = {2009-01-25 12:07:27 -0500},
235	+	Date-Modified = {2009-01-25 21:54:07 -0500},
236	+	Journal = {J. Chem. Phys.},
237	+	Number = 12,
238	+	Pages = {6367-6370},
239	+	Title = {A simple model for the intermolecular potential of water},
240	+	Volume = 83,
241	+	Year = 1985}
242	+
243	+	@article{Bratko95,
244	+	Author = {L. Blum and F. Vericat and D. Bratko},
245	+	Date-Added = {2009-01-25 12:07:27 -0500},
246	+	Date-Modified = {2009-01-25 21:54:26 -0500},
247	+	Journal = {J. Phys. Chem.},
248	+	Number = 3,
249	+	Pages = {1461-1462},
250	+	Title = {Towards an analytical model of water: The octupolar model},
251	+	Volume = 102,
252	+	Year = 1995}
253	+
254	+	@article{fennell04,
255	+	Author = {C.~J. Fennell and J.~D. Gezelter},
256	+	Date-Added = {2009-01-25 12:06:44 -0500},
257	+	Date-Modified = {2009-01-25 21:55:09 -0500},
258	+	Journal = {J. Chem. Phys.},
259	+	Number = 19,
260	+	Pages = {9175-9184},
261	+	Title = {On the structural and transport properties of the soft sticky dipole(SSD) and related single point water models},
262	+	Volume = 120,
263	+	Year = 2004}
264	+
265	+	@article{Mori1996244,
266	+	Author = {H. Mori and H. Yasuda},
267	+	Date-Added = {2009-01-25 11:40:54 -0500},
268	+	Date-Modified = {2009-01-25 21:14:54 -0500},
269	+	Doi = {DOI: 10.1016/S0921-5093(96)10297-5},
270	+	Issn = {0921-5093},
271	+	Journal = {Mat. Sci. Eng. A},
272	+	Keywords = {Au-Sb alloy},
273	+	Note = {International Conference on Nano-Clusters and Granular Materials},
274	+	Pages = {244 - 248},
275	+	Title = {Effect of cluster size on phase stability in nm-sized {A}u-{S}b alloy clusters},
276	+	Url = {http://www.sciencedirect.com/science/article/B6TXD-3VSGYDF-22/2/84c6748cfde7267856d794a9539fe476},
277	+	Volume = {217-218},
278	+	Year = {1996},
279	+	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/B6TXD-3VSGYDF-22/2/84c6748cfde7267856d794a9539fe476},
280	+	Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0921-5093(96)10297-5}}
281	+
282	+	@article{Schmid:2000ul,
283	+	Abstract = {We have studied the formation kinetics of the copper-tin alloy bronze when tin is deposited on the (111) surface of copper at room temperature. Low-energy electron microscopy and atomic-resolution scanning tunneling microscopy reveal that bronze forms on the surface by a complicated, unanticipated cooperative mechanism: Ordered two-dimensional tin islands containing several hundred thousand atoms spontaneously sweep across the surface, leaving bronze alloys in their tracks. We propose that this process, driven by surface free energy, is a version of the "camphor dance" observed on liquid surfaces, and should be a general mechanism of surface alloying when surface diffusion is faster than exchange into the substrate.},
284	+	Author = {Schmid, A. K. and Bartelt, N. C. and Hwang, R. Q.},
285	+	Copyright = {Copyright {\^A}{\copyright} 2000 American Association for the Advancement of Science},
286	+	Date-Added = {2009-01-25 11:36:28 -0500},
287	+	Date-Modified = {2009-01-25 11:36:46 -0500},
288	+	Issn = {00368075},
289	+	Journal = {Science},
290	+	Jstor_Articletype = {primary_article},
291	+	Jstor_Formatteddate = {Nov. 24, 2000},
292	+	Number = {5496},
293	+	Pages = {1561--1564},
294	+	Publisher = {American Association for the Advancement of Science},
295	+	Series = {New Series},
296	+	Title = {Alloying at Surfaces by the Migration of Reactive Two-Dimensional Islands},
297	+	Url = {http://www.jstor.org/stable/3078351},
298	+	Volume = {290},
299	+	Year = {2000},
300	+	Bdsk-Url-1 = {http://www.jstor.org/stable/3078351}}
301	+
302	+	@article{Meng:2004p151,
303	+	Abstract = {We present a density functional theory study of water adsorption on metal surfaces. Prototype water structures including monomers, clusters, one-dimensional chains, and overlayers have been investigated in detail on a model system-a Pt(111) surface. The structure, energetics, and vibrational spectra are all obtained and compared with available experimental data. This study is further extended to other metal surfaces including Ru(0001), Rh(111), Pd(111), and Au(111), where adsorption of monomers and bilayers has been investigated. From these studies, a general picture has emerged regarding the water-surface interaction, the interwater hydrogen bonding, and the wetting order of the metal surfaces. The water-surface interaction is dominated by the lone pair-d band coupling through the surface states. It is rather localized in the contacting layer. A simultaneous enhancement of hydrogen bonding is generally observed in many adsorbed structures. Some special issues such as the partial dissociation of water on Ru(0001) and in the RT39 bilayer phase, the H-up and H-down conversion, and the quantum-mechanical motions of H atoms are also discussed.},
304	+	Affiliation = {Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China},
305	+	Author = {S Meng and EG Wang and SW Gao},
306	+	Date-Added = {2009-01-23 13:37:00 -0500},
307	+	Date-Modified = {2009-01-25 21:52:55 -0500},
308	+	Doi = {10.1103/PhysRevB.69.195404},
309	+	Journal = {Phys. Rev. B},
310	+	Keywords = {Hydrogen-Bonded Systems, Clusters, H2O, Molecular-Dynamics Simulations, Vibrational-Spectra, Pt(111) Surface, Ice Films, Wave Basis-Set, Partial Dissociation, Energy Electron-Diffraction},
311	+	Language = {English},
312	+	Local-Url = {file://localhost/Users/charles/Documents/Papers/2004/Meng/Phys%20Rev%20B%202004%20Meng-2.pdf},
313	+	Month = {Jan},
314	+	Pages = {195404},
315	+	Pmid = {000221961700068},
316	+	Rating = {0},
317	+	Read = {Yes},
318	+	Title = {Water adsorption on metal surfaces: A general picture from density functional theory studies},
319	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p151},
320	+	Url = {http://prola.aps.org/abstract/PRB/v69/i19/e195404},
321	+	Volume = {69},
322	+	Year = {2004},
323	+	Bdsk-File-1 = {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},
324	+	Bdsk-Url-1 = {http://prola.aps.org/abstract/PRB/v69/i19/e195404},
325	+	Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.69.195404}}
326	+
327	+	@article{Meng:2003p289,
328	+	Abstract = {A molecular picture of hydrophilic and hydrophobic interactions, which ubiquitously exist in nature, has been proposed based on ab initio density functional study of water at two prototype metal (Pt and Au) surfaces. We demonstrate that the hydrophilicity-hydrophobicity can be characterized by the water-surface coupling and the strength of the hydrogen bond at the interfaces. From this picture, Pt is found to be hydrophilic while Au is hydrophobic, in agreement with experiment. The effect of the charge transfer and the long-ranged electron polarization of water on these interactions are also elaborated.(C) 2003 American Institute of Physics.},
329	+	Affiliation = {Chalmers Univ Technol, Dept Appl Phys, SE-41296 Gothenburg, Sweden},
330	+	Author = {S Meng and EG Wang and SW Gao},
331	+	Date-Added = {2009-01-23 13:37:00 -0500},
332	+	Date-Modified = {2009-01-25 21:52:45 -0500},
333	+	Doi = {10.1063/1.1617974},
334	+	Journal = {J. Chem. Phys.},
335	+	Keywords = {Kinetics, Dynamics, Adsorption, Surfaces, Water, Pt(111), Ice Films, Simulation},
336	+	Language = {English},
337	+	Local-Url = {file://localhost/Users/charles/Documents/Papers/2003/Meng/J%20Chem%20Phys%202003%20Meng.pdf},
338	+	Month = {Jan},
339	+	Pages = {7617--7620},
340	+	Pmid = {000185703100001},
341	+	Rating = {0},
342	+	Read = {Yes},
343	+	Title = {A molecular picture of hydrophilic and hydrophobic interactions from ab initio density functional theory calculations},
344	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p289},
345	+	Url = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JCPSA6000119000015007617000001&idtype=cvips&gifs=yes},
346	+	Volume = {119},
347	+	Year = {2003},
348	+	Bdsk-File-1 = {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},
349	+	Bdsk-Url-1 = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JCPSA6000119000015007617000001&idtype=cvips&gifs=yes},
350	+	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1617974}}
351	+
352	+	@article{Hodak:2000ek,
353	+	Author = {Hodak, Jose H. and Henglein, Arnim and Hartland, Gregory V.},
354	+	Date-Added = {2009-01-21 10:16:12 -0500},
355	+	Date-Modified = {2009-01-25 21:33:59 -0500},
356	+	Doi = {10.1021/jp000578v},
357	+	Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp000578v},
358	+	Journal = {J. Phys. Chem. B},
359	+	Number = {21},
360	+	Pages = {5053-5055},
361	+	Title = {Coherent Excitation of Acoustic Breathing Modes in Bimetallic Core−Shell Nanoparticles},
362	+	Url = {http://pubs.acs.org/doi/abs/10.1021/jp000578v},
363	+	Volume = {104},
364	+	Year = {2000},
365	+	Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp000578v},
366	+	Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp000578v}}
367	+
368	+	@article{Chen:1997p2142,
369	+	Abstract = {The kinetics of a first-order, solid-solid phase transition were investigated in the prototypical nanocrystal system CdSe as a function of crystallite size. In contrast to extended solids, nanocrystals convert from one structure to another by single nucleation events, and the transformations obey simple unimolecular kinetics. Barrier heights were observed to increase with increasing nanocrystal size, although they also depend on the nature of the nanocrystal surface. These results are analogous to magnetic phase transitions in nanocrystals and suggest general rules that may be of use in the discovery of new metastable phases.},
370	+	Affiliation = {UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720},
371	+	Author = {CC Chen and AB Herhold and CS Johnson and AP Alivisatos},
372	+	Date-Added = {2009-01-20 19:14:00 -0500},
373	+	Date-Modified = {2009-02-27 16:13:26 -0500},
374	+	Journal = {Science},
375	+	Keywords = {Nitride, Wurtzite, Rock-Salt Phase, Gap, High-Pressure Phase, Transformation, Transition, Cdse Nanocrystals, Surface},
376	+	Language = {English},
377	+	Month = {Jan},
378	+	Number = {5311},
379	+	Pages = {398--401},
380	+	Pmid = {A1997WU47700034},
381	+	Rating = {0},
382	+	Title = {Size dependence of structural metastability in semiconductor nanocrystals},
383	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2142},
384	+	Volume = {276},
385	+	Year = {1997}}
386	+
387	+	@article{Das:1999p2397,
388	+	Affiliation = {Indian Inst Technol, Dept Mat {\&} Met Engn, Kharagpur 721302, W Bengal, India},
389	+	Author = {D Das and PP Chatterjee and I Manna and SK Pabi},
390	+	Date-Added = {2009-01-20 19:14:00 -0500},
391	+	Date-Modified = {2009-01-20 19:14:00 -0500},
392	+	Journal = {Scripta Mater},
393	+	Keywords = {Solid-State Reaction, Mechanical Alloying, Stability, Ni, Mathematical Modeling, Kinetics, Diffusion, X-Ray Diffraction, Sharp Concentration Gradients},
394	+	Language = {English},
395	+	Month = {Jan},
396	+	Number = {8},
397	+	Pages = {861--866},
398	+	Pmid = {000082838300012},
399	+	Rating = {0},
400	+	Title = {A measure of enhanced diffusion kinetics in mechanical alloying of Cu-18 at.% Al by planetary ball milling},
401	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2397},
402	+	Volume = {41},
403	+	Year = {1999}}
404	+
405	+	@article{Frenkel:2000p2400,
406	+	Abstract = {X-ray-absorption fine structure (XAFS) and x-ray-diffraction (XRD) measurements of disordered alloys AuxCu1-x, and Au0.5Ag0.5 prepared by melt spinning were performed. In the Au0.5Ag0.5 alloy, no significant local deviations of the atoms from the average fee lattice were detected while in AuxCu1-x, allays, significant deviations of atoms from the average fee lattice were found. Mean-square Vibrations of the Cu-Cu distances revealed by the XAFS in AuxCu1-x alloys indicate the weakening of contact between Cu atoms in the dilute limit. Our computer simulation for AuxCu1-x clusters of 10(5) atoms reproduces the main features of both the XAFS and XRD data.},
407	+	Affiliation = {Univ Illinois, Mat Res Lab, Urbana, IL 61801 USA},
408	+	Author = {AI Frenkel and VS Machavariani and A Rubshtein and Y Rosenberg and A Voronel and EA Stern},
409	+	Date-Added = {2009-01-20 19:14:00 -0500},
410	+	Date-Modified = {2009-01-25 21:29:07 -0500},
411	+	Journal = {Phys. Rev. B},
412	+	Keywords = {First-Principles, Bond Lengths, Mismatch, Absorption Fine-Structure, Mixed Salts, Ga1-Xinxas, Distortions, Crystalline, Films, Strained-Semiconductor Alloys},
413	+	Language = {English},
414	+	Month = {Jan},
415	+	Number = {14},
416	+	Pages = {9364--9371},
417	+	Pmid = {000089830500027},
418	+	Rating = {0},
419	+	Title = {Local structure of disordered Au-Cu and Au-Ag alloys},
420	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2400},
421	+	Volume = {62},
422	+	Year = {2000}}
423	+
424	+	@article{GOLDSTEIN:1992p2138,
425	+	Abstract = {New physics occurs in semiconductors when one or more dimensions of the crystal are reduced to a size comparable to bulk electron delocalization lengths (tens to hundreds of angstroms). The properties of "quantum dots" or semiconductor nanocrystals are now being studied, as techniques to fabricate the crystallites are developed. Temperature-dependent electron diffraction studies on nanocrystals of CdS show a large depression in the melting temperature with decreasing size, as a larger fraction of the total number of atoms is on the surface. Thermal stability may play a role in determining the uses of semiconductor nanocrystals.},
426	+	Affiliation = {UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720},
427	+	Author = {AN Goldstein and CM Echer and AP Alivisatos},
428	+	Date-Added = {2009-01-20 19:14:00 -0500},
429	+	Date-Modified = {2009-01-21 09:43:39 -0500},
430	+	Journal = {Science},
431	+	Keywords = {Gold, Molecular-Dynamics, Size, Small Particles, Clusters},
432	+	Language = {English},
433	+	Month = {Jan},
434	+	Number = {5062},
435	+	Pages = {1425--1427},
436	+	Pmid = {A1992HX33700028},
437	+	Rating = {0},
438	+	Title = {Melting in Semiconductor Nanocrystals},
439	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2138},
440	+	Volume = {256},
441	+	Year = {1992}}
442	+
443	+	@article{HAASE:1992p2139,
444	+	Abstract = {CdS crystallites of 4-nm diameter have been studied under high pressure up to 10 GPa by optical absorption and Raman scattering. The solid-solid phase transition from the zinc blende to the rock salt phase is observed at pressures far in excess of the bulk phase transition pressure of 3 GPa. The pressure of the phase transition depends on the nature of the moiety used to derivatize the surface. In addition, because the compression of the lattice with pressure is the same as in the bulk crystal, it is possible to observe the dependence of the zinc blende crystallite properties up to pressures far higher than in the bulk. The elevated phase transition pressure and its dependence on the surface stabilizer can be explained by a higher value of the surface tension for the rock salt phase nanocrystals compared to the zinc blende.},
445	+	Affiliation = {UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720},
446	+	Author = {M Haase and AP Alivisatos},
447	+	Date-Added = {2009-01-20 19:14:00 -0500},
448	+	Date-Modified = {2009-01-21 09:45:01 -0500},
449	+	Journal = {Journal of Physical Chemistry},
450	+	Keywords = {Crystallites, Particles, Electronic-Spectra, Hydrostatic-Pressure, Redox Potentials, Aqueous-Solution, Resonance Raman-Spectra, Semiconductor Clusters, Temperature, High-Pressure},
451	+	Language = {English},
452	+	Month = {Jan},
453	+	Number = {16},
454	+	Pages = {6756--6762},
455	+	Pmid = {A1992JH64000042},
456	+	Rating = {0},
457	+	Title = {Arrested Solid-Solid Phase-Transition in 4-Nm-Diameter Cds Nanocrystals},
458	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2139},
459	+	Volume = {96},
460	+	Year = {1992}}
461	+
462	+	@article{HENGLEIN:1999p2419,
463	+	Abstract = {Orange- or yellow-orange-colored aqueous dispersions of ultrafine gold particles (similar to 2 nm) result from the gamma-irradiation of deaerated solutions containing hydrolyzed AuCl4- and poly(vinyl alcohol) or poly(vinylpyrrolidone), respectively. The particles have a weak and very broad plasmon absorption band with maximum in the 490 to 500 nm range, i.e., at substantially shorter wavelengths than expected from classical Mie theory using bulk dielectric data; moreover, the specific UV absorption increases as the particles become smaller. The particles are used as seeds in the radiolytic reduction of added Au(CN)(2)(-) to yield larger particles of any desired size and improved monodispersity. The particles partially react with oxygen. Chemisorption of S-mercapto propionic acid strongly affects the electronics of the particles, as indicated by the changes in optical absorption. The early stages of AuCl4- reduction are also investigated. The reduction occurs essentially in two steps: (1) formation, and (2) reduction of Au+. A 203-nm absorption band is tentatively attributed to Au+. Without further irradiation, Au+ disappears thermally within hours to yield larger particles (20-70 nm).},
464	+	Affiliation = {Univ Notre Dame, Notre Dame Radiat Lab, Notre Dame, IN 46556 USA},
465	+	Author = {A Henglein},
466	+	Date-Added = {2009-01-20 19:14:00 -0500},
467	+	Date-Modified = {2009-01-21 09:45:18 -0500},
468	+	Journal = {Langmuir},
469	+	Keywords = {Clusters},
470	+	Language = {English},
471	+	Month = {Jan},
472	+	Number = {20},
473	+	Pages = {6738--6744},
474	+	Pmid = {000082933300021},
475	+	Rating = {0},
476	+	Title = {Radiolytic preparation of ultrafine colloidal gold particles in aqueous solution: Optical spectrum, controlled growth, and some chemical reactions},
477	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2419},
478	+	Volume = {15},
479	+	Year = {1999}}
480	+
481	+	@article{JOHNSON:1989p2479,
482	+	Author = {RA Johnson},
483	+	Date-Added = {2009-01-20 19:14:00 -0500},
484	+	Date-Modified = {2009-01-21 09:45:46 -0500},
485	+	Journal = {Phys Rev B},
486	+	Language = {English},
487	+	Month = {Jan},
488	+	Number = {17},
489	+	Pages = {12554--12559},
490	+	Pmid = {A1989AB03200011},
491	+	Rating = {0},
492	+	Title = {Alloy Models with the Embedded-Atom Method},
493	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2479},
494	+	Volume = {39},
495	+	Year = {1989}}
496	+
497	+	@letter{Link:1999p2468,
498	+	Abstract = {Gold-silver alloy nanoparticles with varying mole fractions are prepared in aqueous solution by the co-reduction of chlorauric acid HAuCl4 and silver nitrate AgNO3 with sodium citrate. As the optical absorption spectra of their solutions show only one plasmon absorption it is concluded that mixing of gold and silver leads to a homogeneous formation of alloy nanoparticles. The maximum of the plasmon band blue-shifts linearly with increasing silver content. This fact cannot be explained by a simple linear combination of the dielectric constants of gold and silver within the Mie theory. On the other hand, the extinction coefficient is found to decrease exponentially rather than linearly with increasing gold mole fraction x(Au). Furthermore, the size distribution of the alloy nanoparticles is examined using transmission electron microscopy (TEM). High-resolution TEM (HRTEM) also confirms the formation of homogeneous gold-silver alloy nanocrystals.},
499	+	Affiliation = {Georgia Inst Technol, Sch Chem {\&} Biochem, Laser Dynam Lab, Atlanta, GA 30332 USA},
500	+	Author = {S Link and ZL Wang and MA El-Sayed},
501	+	Date-Added = {2009-01-20 19:14:00 -0500},
502	+	Date-Modified = {2009-01-25 21:30:56 -0500},
503	+	Journal = {J. Phys. Chem. B},
504	+	Keywords = {Structural-Analysis, Particles, Metal, Optical-Absorption, Chemistry, Colloids, Crystals, Spectrum, Bimetallic Clusters},
505	+	Language = {English},
506	+	Month = {Jan},
507	+	Number = {18},
508	+	Pages = {3529--3533},
509	+	Pmid = {000080303800005},
510	+	Rating = {0},
511	+	Title = {Alloy formation of gold-silver nanoparticles and the dependence of the plasmon absorption on their composition},
512	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2468},
513	+	Volume = {103},
514	+	Year = {1999}}
515	+
516	+	@article{MORI:1994p2372,
517	+	Abstract = {The alloying behaviour of copper atoms into gold clusters has been studied by high-resolution electron microscopy. Preparation of nanometre-sized gold clusters and subsequent copper deposition onto the gold clusters has been carried out with the use of a miniature double-source evaporator that has been directly set at the tip of a specimen holder, Upon the deposition of copper, nanometre-sized gold clusters quickly changed into Au-Cu solid solution clusters even at ambient temperature. It has been confirmed that such spontaneous alloying takes place not via a quasimelting process but via a purely solid-state process.},
518	+	Affiliation = {OSAKA UNIV,FAC ENGN,DEPT MAT SCI {\&} ENGN,SUITA,OSAKA 565,JAPAN},
519	+	Author = {H Mori and H Yasuda and T Kamino},
520	+	Date-Added = {2009-01-20 19:14:00 -0500},
521	+	Date-Modified = {2009-01-25 21:14:22 -0500},
522	+	Journal = {Phil. Mag. Lett.},
523	+	Keywords = {Small Particles, Atom Clusters},
524	+	Language = {English},
525	+	Month = {Jan},
526	+	Number = {5},
527	+	Pages = {279--283},
528	+	Pmid = {A1994NL30400004},
529	+	Rating = {0},
530	+	Title = {High-Resolution Electron-Microscopy Study of Spontaneous Alloying in Gold Clusters},
531	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2372},
532	+	Volume = {69},
533	+	Year = {1994}}
534	+
535	+	@article{MORI:1991p2144,
536	+	Abstract = {A double-source evaporator which can be set in the specimen chamber of a high voltage electron microscope has been constructed. With the use of the evaporator, isolated gold clusters of 5 approximately 10 nm in size were first prepared on a supporting film of amorphous carbon, and then copper atoms were deposited onto the film (and of the deposition of copper, the gold clusters changed into highly concentrated, homogeneously mixed Au-Cu alloy clusters. The copper atom diffusivity in gold clusters deduced from the present observations is at least 9 orders of magnitude faster than the copper solute diffusion in bulk gold.},
537	+	Author = {H Mori and M Komatsu and K Takeda and H Fujita},
538	+	Date-Added = {2009-01-20 19:14:00 -0500},
539	+	Date-Modified = {2009-01-25 21:14:08 -0500},
540	+	Journal = {Phil. Mag. Lett.},
541	+	Keywords = {Metal Particles, Resolution},
542	+	Language = {English},
543	+	Month = {Jan},
544	+	Number = {3},
545	+	Pages = {173--178},
546	+	Pmid = {A1991FF11900010},
547	+	Rating = {0},
548	+	Title = {Spontaneous Alloying of Copper into Gold Atom Clusters},
549	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2144},
550	+	Volume = {63},
551	+	Year = {1991}}
552	+
553	+	@article{MULVANEY:1993p2409,
554	+	Abstract = {Gold was deposited onto colloidal silver (mean particle size 76 angstrom) in aqueous solution, and the composite particles were studied by spectrophotometry and electron microscopy. The deposition took place via electron transfer onto the silver particles by radiolytically generated free radicals and subsequent reduction of dissolved Au(CN)2- by the stored electrons. The method allows one to control the coating thickness. The optical spectra were also calculated using Mie theory and the optical constants of the pure metals. It was found that one monolayer of gold should be sufficient to mask the silver resonance band completely and that the gold plasmon band should develop more quickly than observed. The differences between the calculated and observed spectra are explained by possible alloying of the surface layer.},
555	+	Affiliation = {HAHN MEITNER INST BERLIN GMBH,PHOTOCHEM ABT,W-1000 BERLIN 39,GERMANY},
556	+	Author = {P Mulvaney and M Giersig and A Henglein},
557	+	Date-Added = {2009-01-20 19:14:00 -0500},
558	+	Date-Modified = {2009-01-25 21:29:55 -0500},
559	+	Journal = {J. Phys. Chem.},
560	+	Keywords = {Reduction, Deposition, Lead, Catalysis, Water, Organic Free-Radicals, Surface-Chemistry, Aqueous-Solution, Microelectrode},
561	+	Language = {English},
562	+	Month = {Jan},
563	+	Number = {27},
564	+	Pages = {7061--7064},
565	+	Pmid = {A1993LV57800022},
566	+	Rating = {0},
567	+	Title = {Electrochemistry Of Multilayer Colloids - Preparation and Absorption-Spectrum of Gold-Coated Silver Particles},
568	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2409},
569	+	Volume = {97},
570	+	Year = {1993}}
571	+
572	+	@article{Pawlow:1909p2134,
573	+	Author = {P Pawlow},
574	+	Date-Added = {2009-01-20 19:14:00 -0500},
575	+	Date-Modified = {2009-01-20 19:14:00 -0500},
576	+	Journal = {Z Phys Chem-Stoch Ve},
577	+	Language = {German},
578	+	Month = {Jan},
579	+	Number = {5},
580	+	Pages = {545--548},
581	+	Pmid = {000201380700002},
582	+	Rating = {0},
583	+	Title = {The dependency of the melting point on the surface energy of a solid body. (Supplement.)},
584	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2134},
585	+	Volume = {65},
586	+	Year = {1909}}
587	+
588	+	@article{SOLLIARD:1985p2137,
589	+	Author = {C Solliard and M Flueli},
590	+	Date-Added = {2009-01-20 19:14:00 -0500},
591	+	Date-Modified = {2009-01-25 21:13:41 -0500},
592	+	Journal = {Surf. Sci.},
593	+	Language = {English},
594	+	Month = {Jan},
595	+	Number = {JUN},
596	+	Pages = {487--494},
597	+	Pmid = {A1985AMF8200059},
598	+	Rating = {0},
599	+	Title = {Surface Stress And Size Effect On the Lattice-Parameter in Small Particles of Gold and Platinum},
600	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2137},
601	+	Volume = {156},
602	+	Year = {1985}}
603	+
604	+	@article{TOLBERT:1996p2141,
605	+	Abstract = {The kinetics of solid-solid phase transitions are explored using pressure-induced structural transformations in Si nanocrystals. In agreement with the predictions of homogeneous deformation theories, large elevations in phase transition pressure are observed in nanocrystals as compared to bulk Si, and high pressure x-ray diffraction peak widths indicate an overall change in nanocrystal shape upon transformation. In addition, unlike the BC8 phase recovered in bulk Si, amorphous Si nanoclusters are obtained upon release of pressure, providing an example of kinetic size control over solid phases.},
606	+	Affiliation = {UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV MAT SCI,BERKELEY,CA 94720},
607	+	Author = {SH Tolbert and AB Herhold and LE Brus and AP Alivisatos},
608	+	Date-Added = {2009-01-20 19:14:00 -0500},
609	+	Date-Modified = {2009-01-25 21:13:19 -0500},
610	+	Journal = {Phys. Rev. Lett.},
611	+	Keywords = {Stability, Silicon, Phase-Transitions, Cds, Ge, Raman-Scattering},
612	+	Language = {English},
613	+	Month = {Jan},
614	+	Number = {23},
615	+	Pages = {4384--4387},
616	+	Pmid = {A1996UN80000023},
617	+	Rating = {0},
618	+	Title = {Pressure-induced structural transformations in Si nanocrystals: Surface and shape effects},
619	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2141},
620	+	Volume = {76},
621	+	Year = {1996}}
622	+
623	+	@article{YASUDA:1996p2387,
624	+	Abstract = {The structure and phase transformation in nanometre (nm)-sized Au-Pb alloy clusters have been studied in situ by means of transmission electron microscopy, in order to see the difference in phase equilibrium between a bulk material and the corresponding nm-sized cluster. When lead (or gold) atoms are vapour-deposited on to nm-sized gold (or lead) clusters kept at ambient temperature, spontaneous dissolution of the solute atoms into the clusters takes place and homogeneous Au-Pb alloy clusters are formed. The solid solubilities of lead and of gold for the Au-Pb solid solution clusters are increased markedly as compared with those for the corresponding bulk, materials. A stable intermetallic compound formed preferentially in Pb-enriched Pb-Au alloy clusters is AuPb2, for which a heat of formation is negative. The phase transformation from Au-supersaturated Pb-Au solid solution clusters to single crystalline AuPb2 clusters takes place during a short period, and is similar to a 'martensitic' transformation.},
625	+	Author = {H Yasuda and H Mori},
626	+	Date-Added = {2009-01-20 19:14:00 -0500},
627	+	Date-Modified = {2009-01-25 21:15:30 -0500},
628	+	Journal = {Philos. Mag. A},
629	+	Keywords = {Gold, Copper, Particles},
630	+	Language = {English},
631	+	Month = {Jan},
632	+	Number = {3},
633	+	Pages = {567--573},
634	+	Pmid = {A1996UE04200003},
635	+	Rating = {0},
636	+	Title = {Phase stability and transformation in nanometre-sized Au-Pb alloy clusters produced by spontaneous alloying},
637	+	Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p2387},
638	+	Volume = {73},
639	+	Year = {1996}}
640	+
641	+	@book{Tu:1992jb,
642	+	Address = {New York},
643	+	Annote = {LDR 01215pam 2200277 a 4500
644	+	001 2958691
645	+	005 19920317132441.6
646	+	008 910401s1992 nyua b 001 0 eng
647	+	035 $9(DLC) 91003507
648	+	906 $a7$bcbc$corignew$d1$eocip$f19$gy-gencatlg
649	+	955 $apc04-01-91; ea14/ea27 to SCD 04-05-91; fg11 04-05-91; fg08 04-05-91; CIP ver. bd07 to SL 03-17-92
650	+	010 $a 91003507
651	+	020 $a0024215759
652	+	040 $aDLC$cDLC$dDLC
653	+	050 00 $aQC176.9.M84$bT83 1992
654	+	082 00 $a621.381/52$220
655	+	100 1 $aTu, K. N.$q(King-ning),$d1937-
656	+	245 10 $aElectronic thin film science :$bfor electrical engineers and materials scientists /$cKing-Ning Tu, James W. Mayer, Leonard C. Feldman ; [illustrations provided by the authors].
657	+	260 $aNew York :$bMacmillan ;$aToronto :$bMaxwell Macmillan Canada ;$aNew York :$bMaxwell Macmillan International,$cc1992.
658	+	300 $axvii, 428 p. :$bill. ;$c25 cm.
659	+	504 $aIncludes bibliographical references and index.
660	+	650 0 $aThin, films, Multilayered.
661	+	650 0 $aElectric engineering$xMaterials.
662	+	700 1 $aMayer, James W.,$d1930-
663	+	700 1 $aFeldman, Leonard C.
664	+	991 $bc-GenColl$hQC176.9.M84$iT83 1992$p00011215105$tCopy 1$wBOOKS
665	+	},
666	+	Author = {Tu, K. N and Mayer, James W. and Feldman, Leonard C},
667	+	Call-Number = {QC176.9.M84},
668	+	Date-Added = {2009-01-20 19:03:26 -0500},
669	+	Date-Modified = {2009-01-20 19:03:26 -0500},
670	+	Dewey-Call-Number = {621.381/52},
671	+	Genre = {Thin, films, Multilayered},
672	+	Isbn = {0024215759},
673	+	Library-Id = {91003507},
674	+	Publisher = {Macmillan},
675	+	Title = {Electronic thin film science: for electrical engineers and materials scientists},
676	+	Year = {1992}}
677	+
678	+	@article{Kohlrausch:1863zv,
679	+	Author = {F. Kohlrausch},
680	+	Date-Added = {2009-01-20 18:57:41 -0500},
681	+	Date-Modified = {2009-01-20 18:58:36 -0500},
682	+	Journal = {Pogg. Ann. Physik},
683	+	Pages = {352},
684	+	Volume = {119},
685	+	Year = {1863}}
686	+
687	+	@article{yasuda:1100,
688	+	Author = {H. Yasuda and H. Mori and M. Komatsu and K. Takeda},
689	+	Date-Added = {2009-01-20 16:13:52 -0500},
690	+	Date-Modified = {2009-01-25 21:15:17 -0500},
691	+	Doi = {10.1063/1.353272},
692	+	Journal = {J. Appl. Phys.},
693	+	Keywords = {GOLD; SOLID CLUSTERS; COPPER; ALLOYING EFFECTS; TRANSMISSION ELECTRON MICROSCOPY; TEMPERATURE EFFECTS; DIFFUSION},
694	+	Number = {3},
695	+	Pages = {1100-1103},
696	+	Publisher = {AIP},
697	+	Title = {Spontaneous alloying of copper atoms into gold clusters at reduced temperatures},
698	+	Url = {http://link.aip.org/link/?JAP/73/1100/1},
699	+	Volume = {73},
700	+	Year = {1993},
701	+	Bdsk-Url-1 = {http://link.aip.org/link/?JAP/73/1100/1},
702	+	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.353272}}
703	+
704	+	@article{PhysRevLett.69.3747,
705	+	Author = {Yasuda, H. and Mori, H. },
706	+	Date-Added = {2009-01-20 16:12:21 -0500},
707	+	Date-Modified = {2009-01-20 16:12:21 -0500},
708	+	Doi = {10.1103/PhysRevLett.69.3747},
709	+	Journal = {Phys. Rev. Lett.},
710	+	Month = {Dec},
711	+	Number = {26},
712	+	Numpages = {3},
713	+	Pages = {3747--3750},
714	+	Publisher = {American Physical Society},
715	+	Title = {Spontaneous alloying of zinc atoms into gold clusters and formation of compound clusters},
716	+	Volume = {69},
717	+	Year = {1992},
718	+	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevLett.69.3747}}
719	+
720	+	@book{Schlick:2002hc,
721	+	Address = {New York},
722	+	Annote = {LDR 01372cam 22002894a 4500
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729	+	010 $a 2002016003
730	+	020 $a038795404X (acid-free paper)
731	+	040 $aDLC$cDLC$dDLC
732	+	042 $apcc
733	+	050 00 $aQD480$b.S37 2002
734	+	082 00 $a572/.33/015118$221
735	+	100 1 $aSchlick, Tamar.
736	+	245 10 $aMolecular modeling and simulation :$ban interdisciplinary guide /$cTamar Schlick.
737	+	260 $aNew York :$bSpringer,$cc2002.
738	+	300 $axliii, 634 p. :$bill. (some col.) ;$c25 cm.
739	+	440 0 $aInterdisciplinary applied mathematics ;$vv. 21
740	+	504 $aIncludes bibliographical references (p. [561]-619) and index.
741	+	650 0 $aBiomolecules$xModels.
742	+	650 0 $aBiomolecules$xModels$xComputer simulation.
743	+	856 42 $3Publisher description$uhttp://www.loc.gov/catdir/enhancements/fy0817/2002016003-d.html
744	+	856 41 $3Table of contents only$uhttp://www.loc.gov/catdir/enhancements/fy0817/2002016003-t.html
745	+	},
746	+	Author = {Schlick, Tamar},
747	+	Call-Number = {QD480},
748	+	Date-Added = {2009-01-17 10:34:37 -0500},
749	+	Date-Modified = {2009-01-17 10:34:37 -0500},
750	+	Dewey-Call-Number = {572/.33/015118},
751	+	Genre = {Biomolecules},
752	+	Isbn = {038795404X (acid-free paper)},
753	+	Library-Id = {2002016003},
754	+	Publisher = {Springer},
755	+	Title = {Molecular modeling and simulation: an interdisciplinary guide},
756	+	Url = {http://www.loc.gov/catdir/enhancements/fy0817/2002016003-d.html},
757	+	Volume = {v. 21},
758	+	Year = {2002},
759	+	Bdsk-Url-1 = {http://www.loc.gov/catdir/enhancements/fy0817/2002016003-d.html}}
760	+
761	+	@book{Fox88,
762	+	Address = {Englewood Cliffs, NJ},
763	+	Author = {G.~C. Fox and M.~A. Johnson and G.~A Lyzenga and S.~W. Otto and J.~K. Salmon and D.~W. Walker},
764	+	Date-Added = {2009-01-15 16:58:25 -0500},
765	+	Date-Modified = {2009-01-15 16:58:25 -0500},
766	+	Publisher = {Prentice-Hall},
767	+	Title = {Solving Promblems on Concurrent Processors},
768	+	Volume = {I},
769	+	Year = 1988}
770	+
771	+	@article{Hendrickson:95,
772	+	Author = {Bruce Hendrickson and Steve Plimpton},
773	+	Date-Added = {2009-01-15 16:58:03 -0500},
774	+	Date-Modified = {2009-01-25 21:01:41 -0500},
775	+	Journal = {J. Parallel Distr. Com.},
776	+	Pages = {15-25},
777	+	Title = {Parallel Many-body Simulations without All-to-All Communication},
778	+	Volume = {27},
779	+	Year = {1995}}
780	+
781	+	@inproceedings{Paradyn,
782	+	Address = {Pittsburgh, PA},
783	+	Author = {S.~J. Plimpton and B.~A. Hendrickson},
784	+	Booktitle = {Materials Theory and Modelling},
785	+	Date-Added = {2009-01-15 16:58:03 -0500},
786	+	Date-Modified = {2009-01-15 16:58:03 -0500},
787	+	Editor = {J. Broughton and P. Bristowe and J. Newsam},
788	+	Pages = 37,
789	+	Publisher = {Materials Research Society},
790	+	Series = {MRS Proceedings},
791	+	Title = {Parallel Molecular Dynamics With the Embedded Atom Method},
792	+	Volume = 291,
793	+	Year = 1993}
794	+
795	+	@article{plimpton95,
796	+	Author = {S. Plimpton},
797	+	Date-Added = {2009-01-15 16:58:03 -0500},
798	+	Date-Modified = {2009-01-15 16:58:03 -0500},
799	+	Journal = {J. Comp. Phys.},
800	+	Pages = {1-19},
801	+	Title = {Fast Parallel Algorithms for Short-Range Molecular Dymanics},
802	+	Volume = 117,
803	+	Year = 1995}
804	+
805	+	@article{tuckerman:2278,
806	+	Author = {M. Tuckerman and B. J. Berne and G. J. Martyna},
807	+	Date-Added = {2009-01-13 18:02:02 -0500},
808	+	Date-Modified = {2009-01-25 20:57:11 -0500},
809	+	Doi = {10.1063/1.465242},
810	+	Journal = {J. Chem. Phys.},
811	+	Keywords = {REVERSIBLE PROCESSES; MOLECULAR DYNAMICS CALCULATIONS; HARMONIC OSCILLATORS; ALGORITHMS; VELOCITY; TRAJECTORIES; ALGEBRA; ERRORS; DIFFERENTIAL EQUATIONS; MATHEMATICAL OPERATORS; PROPAGATOR},
812	+	Number = {3},
813	+	Pages = {2278-2279},
814	+	Publisher = {AIP},
815	+	Title = {Reply to Comment on: Reversible multiple time scale molecular dynamics},
816	+	Url = {http://link.aip.org/link/?JCP/99/2278/1},
817	+	Volume = {99},
818	+	Year = {1993},
819	+	Bdsk-Url-1 = {http://link.aip.org/link/?JCP/99/2278/1},
820	+	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.465242}}
821	+
822	+	@book{Frenkel1996,
823	+	Address = {New York},
824	+	Author = {D. Frenkel and B. Smit},
825	+	Date-Added = {2009-01-13 17:54:11 -0500},
826	+	Date-Modified = {2009-01-13 17:54:11 -0500},
827	+	Publisher = {Academic Press},
828	+	Title = {Understanding Molecular Simulation : From Algorithms to Applications},
829	+	Year = 1996}
830	+
831	+	@article{Dullweber1997,
832	+	Author = {A. Dullweber and B. Leimkuhler and R. McLachlan},
833	+	Date-Added = {2009-01-13 17:53:08 -0500},
834	+	Date-Modified = {2009-01-13 17:53:08 -0500},
835	+	Journal = jcp,
836	+	Number = 15,
837	+	Pages = {5840-5851},
838	+	Title = {Symplectic splitting methods for rigid body molecular dynamics},
839	+	Volume = 107,
840	+	Year = 1997}
841	+
842	+	@book{McQuarrie:2000yt,
843	+	Address = {Sausalito, Calif.},
844	+	Annote = {LDR 01048cam 2200241 a 4500
845	+	001 11890713
846	+	005 20031112115307.0
847	+	008 000114s2000 caua b 001 0 eng
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850	+	955 $ato ASCD pc05 01-14-00; jf05 (desc.) 01/14/00; jf08 01-14-00 to Phys (QC); jp99 (subj) to SL 01-14-00; jp14; to Dewey 01-28-00; aa01 01-28-00$aps09 2003-10-29 2 copies rec'd., to CIP ver.$fCIP ver. jp18 2003-11-03 (2 copies) to SL$ajp00 2003-11-03$gjp10 2003-11-12 to BCCD
851	+	010 $a 00021962
852	+	020 $a1891389157 (acid-free paper)
853	+	040 $aDLC$cDLC$dDLC
854	+	042 $apcc
855	+	050 00 $aQC174.8$b.M3 2000
856	+	082 00 $a530.13$221
857	+	100 1 $aMcQuarrie, Donald A.$q(Donald Allan)
858	+	245 10 $aStatistical mechanics /$cDonald A. McQuarrie.
859	+	260 $aSausalito, Calif. :$bUniversity Science Books,$c2000.
860	+	300 $axii, 641 p. :$bill. ;$c27 cm.
861	+	504 $aIncludes bibliographical references and index.
862	+	650 0 $aStatistical mechanics.
863	+	},
864	+	Author = {McQuarrie, Donald A},
865	+	Call-Number = {QC174.8},
866	+	Date-Added = {2009-01-13 14:18:58 -0500},
867	+	Date-Modified = {2009-01-13 14:18:58 -0500},
868	+	Dewey-Call-Number = {530.13},
869	+	Genre = {Statistical mechanics},
870	+	Isbn = {1891389157 (acid-free paper)},
871	+	Library-Id = {00021962},
872	+	Publisher = {University Science Books},
873	+	Title = {Statistical mechanics},
874	+	Year = {2000}}
875	+
876	+	@article{Verlet67,
877	+	Author = {L. Verlet},
878	+	Date-Added = {2009-01-13 14:16:02 -0500},
879	+	Date-Modified = {2009-01-25 20:56:45 -0500},
880	+	Journal = {Phys. Rev.},
881	+	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Verlet_ClassicalFluids_67.pdf},
882	+	Number = {1},
883	+	Pages = {98-103},
884	+	Title = {Computer ``Experiments" on Classical Fluids. \uppercase{I. T}hermodynamic Properties of \uppercase{L}ennard-\uppercase{J}ones Molecules},
885	+	Volume = {159},
886	+	Year = {1967}}
887	+
888	+	@article{swope:637,
889	+	Author = {William C. Swope and Hans C. Andersen and Peter H. Berens and Kent R. Wilson},
890	+	Date-Added = {2009-01-13 13:53:25 -0500},
891	+	Date-Modified = {2009-01-13 13:53:25 -0500},
892	+	Doi = {10.1063/1.442716},
893	+	Journal = {The Journal of Chemical Physics},
894	+	Keywords = {COMPUTERIZED SIMULATION; EQUILIBRIUM; AGGLOMERATION; POTENTIAL ENERGY; WATER; THERMODYNAMIC PROPERTIES},
895	+	Number = {1},
896	+	Pages = {637-649},
897	+	Publisher = {AIP},
898	+	Title = {A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters},
899	+	Url = {http://link.aip.org/link/?JCP/76/637/1},
900	+	Volume = {76},
901	+	Year = {1982},
902	+	Bdsk-Url-1 = {http://link.aip.org/link/?JCP/76/637/1},
903	+	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.442716}}
904	+
905	+	@article{Trotter:1959rz,
906	+	Author = {Trotter, H. F.},
907	+	Copyright = {Copyright {\^A}{\copyright} 1959 American Mathematical Society},
908	+	Date-Added = {2009-01-13 11:04:12 -0500},
909	+	Date-Modified = {2009-01-13 11:04:28 -0500},
910	+	Issn = {00029939},
911	+	Journal = {Proceedings of the American Mathematical Society},
912	+	Jstor_Articletype = {primary_article},
913	+	Jstor_Formatteddate = {Aug., 1959},
914	+	Number = {4},
915	+	Pages = {545--551},
916	+	Publisher = {American Mathematical Society},
917	+	Title = {On the Product of Semi-Groups of Operators},
918	+	Url = {http://www.jstor.org/stable/2033649},
919	+	Volume = {10},
920	+	Year = {1959},
921	+	Bdsk-Url-1 = {http://www.jstor.org/stable/2033649}}
922	+
923		@book{Goldstein:2001uf,
924		Address = {San Francisco},
925		Author = {H. Goldstein and C. Poole and J. Safko},
#	Line 43 \| Line 954
954		@article{Ercolessi02,
955		Author = {U. Tartaglino and E. Tosatti and D. Passerone and F. Ercolessi},
956		Date-Added = {2009-01-11 15:10:33 -0500},
957	<	Date-Modified = {2009-01-11 15:10:33 -0500},
958	<	Journal = prb,
957	>	Date-Modified = {2009-01-25 20:56:10 -0500},
958	>	Journal = {Phys. Rev. B},
959		Pages = 241406,
960		Title = {Bending strain-driven modification of surface resconstructions: Au(111)},
961		Volume = 65,
#	Line 136 \| Line 1047
1047		@article{Nrskov:1980p1752,
1048		Author = {J. K N{\o}rskov and N. D Lang},
1049		Date-Added = {2009-01-11 10:53:30 -0500},
1050	<	Date-Modified = {2009-01-11 10:53:30 -0500},
1050	>	Date-Modified = {2009-01-25 20:49:21 -0500},
1051		Doi = {10.1103/PhysRevB.21.2131},
1052	<	Journal = {Phys Rev B},
1052	>	Journal = {Phys. Rev. B},
1053		Local-Url = {file://localhost/Users/charles/Documents/Papers/1980/N%C3%B8rskov/Phys%20Rev%20B%201980%20N%C3%B8rskov.pdf},
1054		Month = {Mar},
1055		Number = {6},
#	Line 156 \| Line 1067
1067		@article{Nrskov:1982p1753,
1068		Author = {J. K N{\o}rskov},
1069		Date-Added = {2009-01-11 10:53:30 -0500},
1070	<	Date-Modified = {2009-01-11 10:53:30 -0500},
1070	>	Date-Modified = {2009-01-25 20:48:45 -0500},
1071		Doi = {10.1103/PhysRevB.26.2875},
1072	<	Journal = {Phys Rev B},
1072	>	Journal = {Phys. Rev. B},
1073		Local-Url = {file://localhost/Users/charles/Documents/Papers/1982/N%C3%B8rskov/Phys%20Rev%20B%201982%20N%C3%B8rskov.pdf},
1074		Month = {Sep},
1075		Number = {6},
1076		Pages = {2875--2885},
1077		Rating = {0},
1078	<	Title = {Covalent effects in the effective-medium theory of chemical binding: Hydrogen heats of solution in the 3 dmetals},
1078	>	Title = {Covalent effects in the effective-medium theory of chemical binding: Hydrogen heats of solution in the 3 d metals},
1079		Uri = {papers://81DEADED-995F-4F38-B0F9-1857A68D387E/Paper/p1753},
1080		Url = {http://prola.aps.org.proxy.library.nd.edu/abstract/PRB/v26/i6/p2875_1},
1081		Volume = {26},
#	Line 176 \| Line 1087
1087		@article{Puska:1981p1755,
1088		Author = {M. J Puska and M Manninen},
1089		Date-Added = {2009-01-11 10:53:30 -0500},
1090	<	Date-Modified = {2009-01-11 10:53:30 -0500},
1090	>	Date-Modified = {2009-01-25 20:50:27 -0500},
1091		Doi = {10.1103/PhysRevB.24.3037},
1092	<	Journal = {Phys Rev B},
1092	>	Journal = {Phys. Rev. B},
1093		Local-Url = {file://localhost/Users/charles/Documents/Papers/1981/Puska/Phys%20Rev%20B%201981%20Puska.pdf},
1094		Month = {Sep},
1095		Number = {6},
#	Line 196 \| Line 1107
1107		@article{Stott:1980p1754,
1108		Author = {M. J Stott and E Zaremba},
1109		Date-Added = {2009-01-11 10:53:30 -0500},
1110	<	Date-Modified = {2009-01-11 10:53:30 -0500},
1110	>	Date-Modified = {2009-01-25 20:50:01 -0500},
1111		Doi = {10.1103/PhysRevB.22.1564},
1112	<	Journal = {Phys Rev B},
1112	>	Journal = {Phys. Rev. B},
1113		Local-Url = {file://localhost/Users/charles/Documents/Papers/1980/Stott/Phys%20Rev%20B%201980%20Stott.pdf},
1114		Month = {Aug},
1115		Number = {4},
#	Line 214 \| Line 1125
1125		Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.22.1564}}
1126
1127		@article{BASKES:1987p1743,
1128	<	Author = {MI BASKES},
1128	>	Author = {MI Baskes},
1129		Date-Added = {2009-01-08 18:39:57 -0500},
1130	<	Date-Modified = {2009-01-08 18:39:57 -0500},
1131	<	Journal = {Phys Rev Lett},
1130	>	Date-Modified = {2009-01-25 20:51:46 -0500},
1131	>	Journal = {Phys. Rev. Lett.},
1132		Language = {English},
1133		Month = {Jan},
1134		Number = {23},
#	Line 230 \| Line 1141
1141		Year = {1987}}
1142
1143		@article{BASKES:1989p1746,
1144	<	Author = {MI BASKES and JS NELSON and AF WRIGHT},
1144	>	Author = {MI Baskes and JS Nelson and AF Wright},
1145		Date-Added = {2009-01-08 18:39:57 -0500},
1146	<	Date-Modified = {2009-01-08 18:39:57 -0500},
1147	<	Journal = {Phys Rev B},
1146	>	Date-Modified = {2009-01-25 20:52:42 -0500},
1147	>	Journal = {Phys. Rev. B},
1148		Language = {English},
1149		Month = {Jan},
1150		Number = {9},
#	Line 247 \| Line 1158
1158
1159		@article{BASKES:1992p1735,
1160		Abstract = {In a comprehensive study, the modified embedded-atom method is extended to a variety of cubic materials and impurities. In this extension, all functions are analytic and computationally simple. The basic equations of the method are developed and applied to 26 elements: ten fcc, ten bcc, three diamond cubic, and three gaseous materials. The materials modeled include metals, semiconductors, and diatomic gases, all of which exhibit different types of bonding. Properties of these materials, including equation of state, elastic moduli, structural energies and lattice constants, simple defects, and surfaces, are calculated. The formalism for applying the method to combinations of these elements is developed and applied to the calculation of dilute heats of solution. In all cases, comparison is made to experiment or higher-level calculations when possible.},
1161	<	Author = {MI BASKES},
1161	>	Author = {MI Baskes},
1162		Date-Added = {2009-01-08 18:39:57 -0500},
1163	<	Date-Modified = {2009-01-08 18:39:57 -0500},
1164	<	Journal = {Phys Rev B},
1163	>	Date-Modified = {2009-01-25 20:52:11 -0500},
1164	>	Journal = {Phys. Rev. B},
1165		Keywords = {Solids, X-Ray-Diffraction, Fcc Metals, Transition-Metals, Defects, Silicon, Model, Diamond, Surface-Energy Anisotropies, Self-Diffusion},
1166		Language = {English},
1167		Month = {Jan},
#	Line 264 \| Line 1175
1175		Year = {1992}}
1176
1177		@article{DAW:1989p1673,
1178	<	Author = {MS DAW},
1178	>	Author = {MS Daw},
1179		Date-Added = {2009-01-08 18:16:47 -0500},
1180	<	Date-Modified = {2009-01-08 18:16:47 -0500},
1181	<	Journal = {Phys Rev B},
1180	>	Date-Modified = {2009-01-25 20:50:55 -0500},
1181	>	Journal = {Phys. Rev. B},
1182		Language = {English},
1183		Month = {Jan},
1184		Number = {11},
#	Line 281 \| Line 1192
1192
1193		@article{DAW:1983ht,
1194		Address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA},
1195	<	Author = {DAW, MS and BASKES, MI},
1195	>	Author = {Daw, MS and Baskes, MI},
1196		Date = {1983},
1197		Date-Added = {2009-01-08 16:53:15 -0500},
1198	<	Date-Modified = {2009-01-08 16:53:15 -0500},
1198	>	Date-Modified = {2009-01-25 20:40:38 -0500},
1199		Isi = {A1983QL86700017},
1200		Isi-Recid = {48773580},
1201		Isi-Ref-Recids = {13168554 38608062 48773581 23 24 27591671 8875093 28564931 40375597 13708004 22084000 46774049 48773582 35461841 47020808 47340067 44136739 23497752 18554880 20842010 35247938 40834326 48773583},
1202	<	Journal = {Physical Review Letters},
1202	>	Journal = {Phys. Rev. Lett.},
1203		Number = {17},
1204		Pages = {1285-1288},
1205		Publisher = {AMERICAN PHYSICAL SOC},
#	Line 301 \| Line 1212
1212		@article{Daw84,
1213		Author = {M.~S. Daw and M.~I. Baskes},
1214		Date-Added = {2009-01-08 16:50:56 -0500},
1215	<	Date-Modified = {2009-01-08 16:50:56 -0500},
1216	<	Journal = prb,
1215	>	Date-Modified = {2009-01-25 20:46:33 -0500},
1216	>	Journal = {Phys. Rev. B},
1217		Number = 12,
1218		Pages = {6443-6453},
1219		Title = {Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals},
#	Line 330 \| Line 1241
1241		Volume = 33,
1242		Year = 1986}
1243
1244	<	@review{DAW:1993p1640,
1244	>	@article{DAW:1993p1640,
1245		Abstract = {The embedded-atom method (EAM) is a semi-empirical, many-atom potential for computing the total energy of a metallic system. It is especially useful for systems with large unit cells, and is appropriate for metals with empty or filled d bands. With the EAM, the materials community has investigated many problems of interest: point defects, melting, alloying, grain boundary structure and energy, dislocations, segregation, fracture, surface structure, and epitaxial growth. In general, most of the EAM calculations have been carried out in close connection with experimental work. We review here the history, development, and application of the EAM.},
1246		Affiliation = {SANDIA NATL LABS,MAT {\&} PROC RES DEPT,LIVERMORE,CA 94551},
1247	<	Author = {MS DAW and SM FOILES and MI BASKES},
1247	>	Author = {MS Daw and SM Foiles and MI Baskes},
1248		Date-Added = {2009-01-08 15:43:13 -0500},
1249	<	Date-Modified = {2009-01-08 15:43:13 -0500},
1250	<	Journal = {Mater Sci Rep},
1249	>	Date-Modified = {2009-01-25 20:42:39 -0500},
1250	>	Journal = {Mater. Sci. Rep.},
1251		Keywords = {Order-Disorder Transitions, Monte-Carlo Simulations, He-Surface Scattering, Corrected Effective-Medium, Energy-Ion-Scattering, Rayleigh Phonon-Dispersion, 001 Twist Boundaries, Fcc 110 Surfaces, Missing-Row Model, X-Ray-Diffraction},
1252		Language = {English},
1253		Month = {Jan},
#	Line 562 \| Line 1473
1473		Author = {Greer, A. Lindsay},
1474		Copyright = {Copyright 1995 American Association for the Advancement of Science},
1475		Date-Added = {2008-12-30 15:36:03 -0500},
1476	<	Date-Modified = {2008-12-30 15:36:03 -0500},
1476	>	Date-Modified = {2009-01-25 20:39:25 -0500},
1477		Group = {Frontiers in Materials Science},
1478		Issn = {0036-8075},
1479		Journal = {Science},
#	Line 570 \| Line 1481
1481		Jstor_Date = {19950331},
1482		Jstor_Formatteddate = {Mar. 31, 1995},
1483		Local-Url = {file://localhost/Users/charles/Documents/Papers/greer_science_met_glass.pdf},
1484	<	Month = {mar},
1484	>	Month = {Mar},
1485		Number = {5206},
1486	<	Pages = {1947--1953},
1486	>	Pages = {1947-1953},
1487		Publisher = {American Association for the Advancement of Science},
1488		Series = {3},
1489		Title = {Metallic Glasses},
#	Line 728 \| Line 1639
1639		@article{Cerullo1999,
1640		Author = {G. Cerullo and S. De~Silvestri and U. Banin},
1641		Date-Added = {2008-12-30 15:14:05 -0500},
1642	<	Date-Modified = {2008-12-30 15:14:05 -0500},
1643	<	Journal = prb,
1642	>	Date-Modified = {2009-01-25 21:38:30 -0500},
1643	>	Journal = {Phys. Rev. B},
1644		Pages = {1928-1932},
1645		Title = {Size-dependent dynamics of coherent acoustic phonons in nanocrystal quantum dots},
1646		Volume = 60,
#	Line 776 \| Line 1687
1687		@article{hoover85,
1688		Author = {W.~G. Hoover},
1689		Date-Added = {2008-12-30 15:10:00 -0500},
1690	<	Date-Modified = {2008-12-30 15:10:00 -0500},
1691	<	Journal = pra,
1690	>	Date-Modified = {2009-01-25 21:38:03 -0500},
1691	>	Journal = {Phys. Rev. A},
1692		Pages = 1695,
1693		Title = {Canonical dynamics: Equilibrium phase-space distributions},
1694		Volume = 31,
#	Line 806 \| Line 1717
1717		@article{Simon2001,
1718		Author = {D.~T. Simon and M.~R. Geller},
1719		Date-Added = {2008-12-30 15:03:24 -0500},
1720	<	Date-Modified = {2008-12-30 15:03:24 -0500},
1721	<	Journal = prb,
1720	>	Date-Modified = {2009-01-25 21:36:23 -0500},
1721	>	Journal = {Phys. Rev. B},
1722		Pages = 115412,
1723		Title = {Electron-phonon dynamics in an ensemble of nearly isolated nanoparticles},
1724		Volume = 64,
#	Line 816 \| Line 1727
1727		@article{Hartland00,
1728		Author = {J. ~H. Hodak and A. Henglein and G. ~V. Hartland},
1729		Date-Added = {2008-12-30 15:03:13 -0500},
1730	<	Date-Modified = {2008-12-30 15:03:13 -0500},
1731	<	Journal = jcp,
1730	>	Date-Modified = {2009-01-25 21:37:09 -0500},
1731	>	Journal = {J. Chem. Phys},
1732		Pages = {5053-5055},
1733		Title = {Coherent Excitation of Acoustic Breathing Modes in Bimetallic Core-Shell Nanoparticles},
1734		Volume = 104,
#	Line 836 \| Line 1747
1747		@article{hartland02a,
1748		Author = {G.~V. Hartland},
1749		Date-Added = {2008-12-30 15:00:39 -0500},
1750	<	Date-Modified = {2008-12-30 15:00:39 -0500},
1751	<	Journal = jcp,
1750	>	Date-Modified = {2009-01-25 21:34:57 -0500},
1751	>	Journal = {J. Chem. Phys.},
1752		Pages = {8048-8055},
1753		Title = {Coherent vibrational motion in metal particles: Determination of the vibrational amplitude and excitation mechanism},
1754		Volume = 116,
#	Line 846 \| Line 1757
1757		@article{hartland02c,
1758		Author = {J.~E. Sader and G.~V. Hartland and P. Mulvaney},
1759		Date-Added = {2008-12-30 15:00:39 -0500},
1760	<	Date-Modified = {2008-12-30 15:00:39 -0500},
1761	<	Journal = jpcb,
1760	>	Date-Modified = {2009-01-25 21:29:42 -0500},
1761	>	Journal = {J. Phys. Chem. B},
1762		Pages = {1399-1402},
1763		Title = {Theory of Acoustic Breathing Modes of Core-Shell Nanoparticles},
1764		Volume = 106,
#	Line 856 \| Line 1767
1767		@article{henglein99,
1768		Author = {J.~H. Hodak and A Henglein and G.~V. Hartland},
1769		Date-Added = {2008-12-30 14:59:42 -0500},
1770	<	Date-Modified = {2008-12-30 14:59:42 -0500},
1771	<	Journal = jcp,
1770	>	Date-Modified = {2009-01-25 21:34:13 -0500},
1771	>	Journal = {J. Chem. Phys.},
1772		Pages = {8613-8621},
1773		Title = {Size Dependent properties of Au Particles: Coherent Excitation and Dephasing of Acoustic Vibrational Modes},
1774		Volume = 111,
#	Line 866 \| Line 1777
1777		@article{delfatti99,
1778		Author = {N. {Del Fatti} and C. Voisin and F. Chevy and F. Vallee and C. Flytzanis},
1779		Date-Added = {2008-12-30 14:59:01 -0500},
1780	<	Date-Modified = {2008-12-30 14:59:01 -0500},
1781	<	Journal = jcp,
1780	>	Date-Modified = {2009-01-25 21:33:18 -0500},
1781	>	Journal = {J. Chem. Phys.},
1782		Pages = {11484-11487},
1783		Title = {Coherent Acoustic Mode Oscillation and Damping in Silver Nanoparticles},
1784		Volume = 110,
#	Line 876 \| Line 1787
1787		@article{el-sayed00,
1788		Author = {S. Link and Z.~L. Wang and M.~A. El-Sayed},
1789		Date-Added = {2008-12-30 14:57:35 -0500},
1790	<	Date-Modified = {2008-12-30 14:57:35 -0500},
1791	<	Journal = jpcb,
1790	>	Date-Modified = {2009-01-25 21:30:26 -0500},
1791	>	Journal = {J. Phys. Chem. B},
1792		Pages = {7867-7870},
1793		Title = {How Does a Gold Nanorod Melt?},
1794		Volume = 104,
#	Line 886 \| Line 1797
1797		@article{el-sayed01,
1798		Author = {S. Link and M.~A. El-Sayed},
1799		Date-Added = {2008-12-30 14:57:35 -0500},
1800	<	Date-Modified = {2008-12-30 14:57:35 -0500},
1801	<	Journal = jcp,
1800	>	Date-Modified = {2009-01-25 21:30:41 -0500},
1801	>	Journal = {J. Chem. Phys.},
1802		Pages = {2362-2368},
1803		Title = {Spectroscopic Determination of the Melting Energy of a Gold Nanorod},
1804		Volume = 114,
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1954		@article{Ngai81,
1955		Author = {K.~L. Ngai and F.-S. Liu},
1956		Date-Added = {2008-12-22 15:52:33 -0500},
1957	<	Date-Modified = {2008-12-22 15:52:33 -0500},
1958	<	Journal = prb,
1957	>	Date-Modified = {2009-01-25 21:10:28 -0500},
1958	>	Journal = {Phys. Rev. B},
1959		Pages = {1049-1065},
1960		Title = {Dispersive diffusion transport and noise, time-dependent diffusion coefficient, generalized Einstein-Nernst relation, and dispersive diffusion-controlled unimolecular and bimolecular reactions},
1961		Volume = 24,
#	Line 1053 \| Line 1964
1964		@article{Tolman20,
1965		Author = {R. C. Tolman},
1966		Date-Added = {2008-12-22 15:45:10 -0500},
1967	<	Date-Modified = {2008-12-22 15:45:10 -0500},
1968	<	Journal = jacs,
1967	>	Date-Modified = {2009-01-25 21:12:43 -0500},
1968	>	Journal = {J. Am. Chem. Soc.},
1969		Pages = 2506,
1970		Title = {Statistical Mechanics Applied to Chemical Kinetics},
1971		Volume = 42,
#	Line 1089 \| Line 2000
2000		@article{Liu92,
2001		Author = {R.~S. Liu and D.~W. Qi and S. Wang},
2002		Date-Added = {2008-12-22 15:44:22 -0500},
2003	<	Date-Modified = {2008-12-22 15:44:22 -0500},
2004	<	Journal = prb,
2003	>	Date-Modified = {2009-01-25 21:12:05 -0500},
2004	>	Journal = {Phys. Rev. B},
2005		Pages = {451-453},
2006		Title = {Subpeaks of structure factors for rapidly quenched metals},
2007		Volume = 45,
#	Line 1099 \| Line 2010
2010		@article{Lewis91,
2011		Author = {L.~J. Lewis},
2012		Date-Added = {2008-12-22 15:43:19 -0500},
2013	<	Date-Modified = {2008-12-22 15:43:19 -0500},
2014	<	Journal = prb,
2013	>	Date-Modified = {2009-01-25 21:11:37 -0500},
2014	>	Journal = {Phys. Rev. B},
2015		Pages = {4245-4254},
2016		Title = {Atomic dynamics through the glass transition},
2017		Volume = 44,
#	Line 1119 \| Line 2030
2030		@article{Stillinger82,
2031		Author = {F.~H. Stillinger and T.~A. Weber},
2032		Date-Added = {2008-12-22 15:40:24 -0500},
2033	<	Date-Modified = {2008-12-22 15:40:24 -0500},
2034	<	Journal = pra,
2033	>	Date-Modified = {2009-01-25 21:08:53 -0500},
2034	>	Journal = {Phys. Rev. A},
2035		Number = 2,
2036		Pages = {978-989},
2037		Title = {Hidden structure in liquids},
#	Line 1130 \| Line 2041
2041		@article{Wendt78,
2042		Author = {H. Wendt and F.~F. Abraham},
2043		Date-Added = {2008-12-22 15:34:26 -0500},
2044	<	Date-Modified = {2008-12-22 15:34:26 -0500},
2045	<	Journal = prl,
2044	>	Date-Modified = {2009-01-25 21:11:16 -0500},
2045	>	Journal = {Phys. Rev. Lett.},
2046		Pages = 1244,
2047		Volume = 41,
2048		Year = 1978}
#	Line 1169 \| Line 2080
2080		@article{Parkhurst75a,
2081		Author = {H.~J. {Parkhurst, Jr.} and J. Jonas},
2082		Date-Added = {2008-12-22 15:30:55 -0500},
2083	<	Date-Modified = {2008-12-22 15:30:55 -0500},
2084	<	Journal = jcp,
2083	>	Date-Modified = {2009-01-25 21:09:53 -0500},
2084	>	Journal = {J. Chem. Phys.},
2085		Number = 6,
2086		Pages = {2698-2704},
2087		Title = {Dense liquids. I. The effect of density and temperature on viscosity of tetramethylsilane and benzene-$\mbox{D}_6$},
#	Line 1180 \| Line 2091
2091		@article{Parkhurst75b,
2092		Author = {H.~J. {Parkhurst, Jr.} and J. Jonas},
2093		Date-Added = {2008-12-22 15:30:55 -0500},
2094	<	Date-Modified = {2008-12-22 15:30:55 -0500},
2095	<	Journal = jcp,
2094	>	Date-Modified = {2009-01-25 21:10:07 -0500},
2095	>	Journal = {J. Chem. Phys.},
2096		Number = 6,
2097		Pages = {2705-2709},
2098		Title = {Dense liquids. II. The effect of density and temperature on viscosity of tetramethylsilane and benzene },
#	Line 1200 \| Line 2111
2111		@article{Klafter94,
2112		Author = {J. Klafter and G. Zumofen},
2113		Date-Added = {2008-12-22 15:30:05 -0500},
2114	<	Date-Modified = {2008-12-22 15:30:05 -0500},
2115	<	Journal = jpc,
2114	>	Date-Modified = {2009-01-25 21:08:22 -0500},
2115	>	Journal = {Journal of Physical Chemistry},
2116		Pages = {7366-7370},
2117		Title = {Probability Distributions for Continuous-Time Random Walks with Long Tails},
2118		Volume = 98,
#	Line 1240 \| Line 2151
2151		@article{Zwanzig83,
2152		Author = {R. Zwanzig},
2153		Date-Added = {2008-12-22 15:29:22 -0500},
2154	<	Date-Modified = {2008-12-22 15:29:22 -0500},
2155	<	Journal = jcp,
2154	>	Date-Modified = {2009-01-25 21:07:54 -0500},
2155	>	Journal = {J. Chem. Phys.},
2156		Pages = {4507-4508},
2157		Title = {On the relation between self-diffusion and viscosity of liquids},
2158		Volume = 79,
#	Line 1270 \| Line 2181
2181		@article{Gezelter97,
2182		Author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
2183		Date-Added = {2008-12-22 15:28:54 -0500},
2184	<	Date-Modified = {2008-12-22 15:28:54 -0500},
2185	<	Journal = jcp,
2184	>	Date-Modified = {2009-01-25 21:06:45 -0500},
2185	>	Journal = {J. Chem. Phys.},
2186		Pages = 4618,
2187		Title = {Can imaginary instantaneous normal mode frequencies predict barriers to self-diffusion?},
2188		Volume = 107,
#	Line 1280 \| Line 2191
2191		@article{Gezelter98a,
2192		Author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
2193		Date-Added = {2008-12-22 15:28:54 -0500},
2194	<	Date-Modified = {2008-12-22 15:28:54 -0500},
2195	<	Journal = jcp,
2194	>	Date-Modified = {2009-01-25 21:06:56 -0500},
2195	>	Journal = {J. Chem. Phys.},
2196		Pages = 4695,
2197		Title = {Response to 'Comment on a Critique of the Instantaneous Normal Mode (INM) Approach to Diffusion'},
2198		Volume = 109,
#	Line 1290 \| Line 2201
2201		@article{Rabani99,
2202		Author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
2203		Date-Added = {2008-12-22 15:28:54 -0500},
2204	<	Date-Modified = {2008-12-22 15:28:54 -0500},
2205	<	Journal = prl,
2204	>	Date-Modified = {2009-01-25 21:05:13 -0500},
2205	>	Journal = {Phys. Rev. Lett.},
2206		Pages = {3649},
2207		Title = {Direct Observation of Stretched-Exponential Relaxation in Low-Temperature Lennard-Jones Systems Using the Cage Correlation Function},
2208		Volume = 82,
#	Line 1300 \| Line 2211
2211		@article{Gezelter99,
2212		Author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
2213		Date-Added = {2008-12-22 15:28:54 -0500},
2214	<	Date-Modified = {2008-12-22 15:28:54 -0500},
2215	<	Journal = jcp,
2214	>	Date-Modified = {2009-01-25 21:05:50 -0500},
2215	>	Journal = {J. Chem. Phys.},
2216		Pages = 3444,
2217		Title = {Methods for calculating the hopping rate for orientational and spatial diffusion in a molecular liquid: $\mbox{CS}_{2}$},
2218		Volume = 110,
#	Line 1310 \| Line 2221
2221		@article{Rabani2000,
2222		Author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
2223		Date-Added = {2008-12-22 15:28:54 -0500},
2224	<	Date-Modified = {2008-12-22 15:28:54 -0500},
2225	<	Journal = prl,
2224	>	Date-Modified = {2009-01-25 21:06:17 -0500},
2225	>	Journal = {Phys. Rev. Lett.},
2226		Pages = 467,
2227		Title = {Reply to `Comment on ``Direct Observation of Stretched-Exponential Relaxation in Low-Temperature Lennard-Jones Systems Using th eCage Correlation Function'' '},
2228		Volume = 85,
#	Line 1352 \| Line 2263
2263		@article{Stillinger83,
2264		Author = {F.~H. Stillinger and T.~A. Weber},
2265		Date-Added = {2008-12-22 15:27:32 -0500},
2266	<	Date-Modified = {2008-12-22 15:27:32 -0500},
2267	<	Journal = pra,
2266	>	Date-Modified = {2009-01-25 21:09:02 -0500},
2267	>	Journal = {Phys. Rev. A},
2268		Number = 4,
2269		Pages = {2408-2416},
2270		Title = {Dynamics of structural transitions in liquids},
#	Line 1363 \| Line 2274
2274		@article{Weber84,
2275		Author = {T.~A. Weber and F.~H. Stillinger},
2276		Date-Added = {2008-12-22 15:27:32 -0500},
2277	<	Date-Modified = {2008-12-22 15:27:32 -0500},
2278	<	Journal = jcp,
2277	>	Date-Modified = {2009-01-25 21:09:30 -0500},
2278	>	Journal = {J. Chem. Phys.},
2279		Number = 6,
2280		Pages = {2742-2746},
2281		Title = {The effect of density on the inherent structure in liquids},
#	Line 1374 \| Line 2285
2285		@article{Stillinger85,
2286		Author = {F.~H. Stillinger and T.~A. Weber},
2287		Date-Added = {2008-12-22 15:27:32 -0500},
2288	<	Date-Modified = {2008-12-22 15:27:32 -0500},
2289	<	Journal = jcp,
2288	>	Date-Modified = {2009-01-25 21:09:12 -0500},
2289	>	Journal = {J. Chem. Phys.},
2290		Number = 9,
2291		Pages = {4767-4775},
2292		Title = {Inherent structure theory of liquids in the hard-sphere limit},
#	Line 1405 \| Line 2316
2316		@article{Kob95a,
2317		Author = {W. Kob and H.~C. Andersen},
2318		Date-Added = {2008-12-22 15:26:15 -0500},
2319	<	Date-Modified = {2008-12-22 15:26:15 -0500},
2320	<	Journal = pre,
2319	>	Date-Modified = {2009-01-25 21:04:12 -0500},
2320	>	Journal = {Phys. Rev. E},
2321		Pages = {4626-4641},
2322		Title = {Testing mode-coupling theory for a supercooled binary Lennard-Jones mixtures: The van Hove corraltion function},
2323		Volume = 51,
#	Line 1415 \| Line 2326
2326		@article{Kob95b,
2327		Author = {W. Kob and H.~C. Andersen},
2328		Date-Added = {2008-12-22 15:26:15 -0500},
2329	<	Date-Modified = {2008-12-22 15:26:15 -0500},
2330	<	Journal = pre,
2329	>	Date-Modified = {2009-01-25 21:04:31 -0500},
2330	>	Journal = {Phys. Rev. E},
2331		Pages = {4134-4153},
2332		Title = {Testing mode-coupling theory for a supercooled binary Lennard-Jones mixtures. II. Intermediate scattering function and dynamic susceptibility},
2333		Volume = 52,
#	Line 1446 \| Line 2357
2357		Abstract = {Experimental bulk mixing data on disordered bimetallics of Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au are used to parametrize the recently developed {$\backslash$}underline{\{}b{\}}ond {$\backslash$}underline{\{}o{\}}rder metal {$\backslash$}underline{\{}s{\}}imulator (BOS-mixing) model, including a full error analysis. This model characterizes the variation of metal-metal bond strength with number and type of atomic neighbors. The model is shown to accurately fit experimental mixing energy curves as a function of composition irrespective of whether the curves are symmetric or asymmetric around the 50{\%} value. As an illustration of the utility of the BOS-mixing model, we predict the microstructures of bimetallic clusters with 201 atoms (or 61{\%} dispersion) and a composition of 50{\%}-50{\%}. The examples demonstrate how differences in surface energy, mixing energy, and mixing entropy either compete or cooperate in determining the microstructure of small bimetallic clusters.},
2358		Author = {Zhu, Ling and DePristo, Andrew E.},
2359		Date-Added = {2007-10-03 14:57:41 -0400},
2360	<	Date-Modified = {2007-10-03 14:58:17 -0400},
2361	<	Journal = {Journal of Catalysis},
2360	>	Date-Modified = {2009-01-25 21:47:18 -0500},
2361	>	Journal = {J. Catal.},
2362		Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle2.pdf},
2363		Number = {2},
2364	<	Pages = {400--407},
2364	>	Pages = {400-407},
2365		Title = {Microstructures of Bimetallic Clusters: Bond Order Metal Simulator for Disordered Alloys},
2366		Ty = {JOUR},
2367		Url = {http://www.sciencedirect.com/science/article/B6WHJ-45KMYC8-80/2/0c7f43e48e4dfa1206cb717c85db1972},
#	Line 1479 \| Line 2390
2390		@article{nose:1803,
2391		Author = {Shuichi Nose and Fumiko Yonezawa},
2392		Date-Added = {2007-09-21 13:00:58 -0400},
2393	<	Date-Modified = {2007-09-21 13:01:18 -0400},
2393	>	Date-Modified = {2009-01-25 21:45:59 -0500},
2394		Doi = {10.1063/1.450427},
2395	<	Journal = {The Journal of Chemical Physics},
2395	>	Journal = {J. Chem. Phys.},
2396		Keywords = {LENNARDJONES POTENTIAL; COMPUTERIZED SIMULATION; MELTING; CRYSTALLIZATION; MOLECULAR DYNAMICS CALCULATION; LIQUID STRUCTURE; NUCLEATION; MATHEMATICAL MODELS},
2397		Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_84_1803.pdf},
2398		Number = {3},
#	Line 1498 \| Line 2409
2409		@article{hsu:4974,
2410		Author = {C. S. Hsu and Aneesur Rahman},
2411		Date-Added = {2007-09-21 12:52:21 -0400},
2412	<	Date-Modified = {2007-09-21 12:52:40 -0400},
2412	>	Date-Modified = {2009-01-25 21:56:20 -0500},
2413		Doi = {10.1063/1.438311},
2414	<	Journal = {The Journal of Chemical Physics},
2414	>	Journal = {J. Chem. Phys.},
2415		Keywords = {NUCLEATION; SYMMETRY; INTERATOMIC FORCES; RUBIDIUM; LENNARD=(HYPHEN)=JONES POTENTIAL; CORRELATIONS; CRYSTALS},
2416		Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_71_4974.pdf},
2417		Number = {12},
#	Line 1588 \| Line 2499
2499		Abstract = {It is proposed that the splitting of the second peak of the total static structure factor, S(k), of many metallic glasses is essentially the same feature as the indentation at k{$[$}sigma{$]$} = (9/2){$[$}pi{$]$} in the function (sin k {$[$}sigma{$]$} + {$[$}alpha{$]$}-1 sin k{$[$}alpha{$]$}{$[$}sigma{$]$}), caused by the coincidence of the fourth minimum of the second term with the third maximum of the first term when {$[$}alpha{$]$} {$[$}approximate{$]$} 5/3. Together with the strong-weak relation of the split peak components of S(k), this feature indicates the splitting to be direct evidence for face-sharing of regular tetrahedra ({$[$}alpha{$]$} = 2{$[$}square root{$]$}2/3) dominating the topological short range order; increasing the number of face-sharing tetrahedra in local structural units indeed increases the amount of peak splitting in S(k); a dense random packing of well defined identical structural units (DRPSU), with neighbouring units linked together by a shared icosahedron, is described in detail. The packing fraction in a homogeneous, isotropic 1078-atom model is 0.67, after static relaxation under a two-body Lennard-Jones potential.},
2500		Author = {van de Waal, Benjamin W.},
2501		Date-Added = {2007-09-20 13:17:52 -0400},
2502	<	Date-Modified = {2007-09-20 13:18:07 -0400},
2503	<	Journal = {Journal of Non-Crystalline Solids},
2502	>	Date-Modified = {2009-01-25 21:32:15 -0500},
2503	>	Journal = {J Non-Cryst. Solids},
2504		Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle1.pdf},
2505		Number = {1-2},
2506		Pages = {118--128},
#	Line 1733 \| Line 2644
2644		@article{duijneveldt:4655,
2645		Author = {J. S. van Duijneveldt and D. Frenkel},
2646		Date-Added = {2007-09-13 16:50:13 -0400},
2647	<	Date-Modified = {2007-09-13 16:50:22 -0400},
2647	>	Date-Modified = {2009-01-25 21:46:29 -0500},
2648		Doi = {10.1063/1.462802},
2649	<	Journal = {The Journal of Chemical Physics},
2649	>	Journal = {J. Chem. Phys.},
2650		Keywords = {COMPUTERIZED SIMULATION; FREE ENERGY; CRYSTALS; NUCLEATION; THERMAL BARRIERS; MONTE CARLO METHOD; SUPERCOOLED LIQUIDS; FCC LATTICES; BCC LATTICES; SIMULATION; HOMOGENEITY},
2651		Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_96_4655.pdf},
2652		Number = {6},
#	Line 1833 \| Line 2744
2744		Bdsk-Url-1 = {http://search.ebscohost.com/login.aspx?direct=true&AuthType=ip,url,uid,cookie&db=afh&AN=3844873&site=ehost-live}}
2745
2746		@article{BROOKS:1985kx,
2747	<	Author = {BROOKS, CL and BRUNGER, A and KARPLUS, M},
2747	>	Author = {Brooks, CL and Brunger, A and Karplus, M},
2748		Date-Added = {2007-09-06 15:55:51 -0400},
2749	<	Date-Modified = {2007-09-06 15:56:44 -0400},
2749	>	Date-Modified = {2009-01-25 20:58:23 -0500},
2750		Journal = {Biopolymers},
2751		Pages = {843-865},
2752		Title = {ACTIVE-SITE DYNAMICS IN PROTEIN MOLECULES - A STOCHASTIC BOUNDARY MOLECULAR-DYNAMICS APPROACH},
#	Line 1843 \| Line 2754
2754		Year = {1985}}
2755
2756		@article{BRUNGER:1984fj,
2757	<	Author = {BRUNGER, A and BROOKS, CL and KARPLUS, M},
2757	>	Author = {Brunger, A and Brooks, CL and Karplus, M},
2758		Date-Added = {2007-09-06 15:55:51 -0400},
2759	<	Date-Modified = {2007-09-06 15:56:36 -0400},
2760	<	Journal = {Chemical Physics Letters},
2759	>	Date-Modified = {2009-01-25 20:58:54 -0500},
2760	>	Journal = {Chem. Phys. Lett.},
2761		Pages = {495-500},
2762		Title = {STOCHASTIC BOUNDARY-CONDITIONS FOR MOLECULAR-DYNAMICS SIMULATIONS OF ST2 WATER},
2763		Volume = {105},
2764		Year = {1984}}
2765
2766		@article{BROOKS:1983uq,
2767	<	Author = {BROOKS, CL and KARPLUS, M},
2767	>	Author = {Brooks CL and Karplus, M},
2768		Date-Added = {2007-09-06 15:55:51 -0400},
2769	<	Date-Modified = {2007-09-06 15:56:24 -0400},
2770	<	Journal = {Journal of Chemical Physics},
2769	>	Date-Modified = {2009-01-25 20:57:56 -0500},
2770	>	Journal = {J. Chem. Phys.},
2771		Pages = {6312-6325},
2772		Title = {DEFORMABLE STOCHASTIC BOUNDARIES IN MOLECULAR-DYNAMICS},
2773		Volume = {79},
#	Line 1958 \| Line 2869
2869		Affiliation = {Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556},
2870		Author = {Henglein, A.},
2871		Date-Added = {2007-09-06 15:01:20 -0400},
2872	<	Date-Modified = {2007-09-06 15:01:27 -0400},
2872	>	Date-Modified = {2009-01-25 21:42:39 -0500},
2873		Issn = {1520-6106},
2874	<	Journal = {Journal of Physical Chemistry B},
2874	>	Journal = {J. Phys. Chem. B},
2875		Local-Url = {file://localhost/Users/charles/Documents/Papers/jp992950g.pdf},
2876		Number = {6},
2877		Pages = {1206-1211},
2878	<	Title = {Formation and Absorption Spectrum of Copper Nanoparticles from the Radiolytic Reduction of Cu(CN)2-},
2878	>	Title = {Formation and Absorption Spectrum of Copper Nanoparticles from the Radiolytic Reduction of {C}u({CN})2-},
2879		Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp992950g},
2880		Volume = {104},
2881		Year = {2000},
#	Line 2001 \| Line 2912
2912		@article{Qi:2001nn,
2913		Author = {Yue Qi and Tahir Cagin and William L. Johnson and William A. Goddard III},
2914		Date-Added = {2007-09-06 13:34:45 -0400},
2915	<	Date-Modified = {2007-09-06 13:34:45 -0400},
2916	<	Journal = {The Journal of Chemical Physics},
2915	>	Date-Modified = {2009-01-25 21:44:04 -0500},
2916	>	Journal = {J. Chem. Phys.},
2917		Keywords = {melting; freezing; crystallisation; nickel; nanostructured materials; metal clusters},
2918		Local-Url = {file://localhost/Users/charles/Documents/Papers/Qi/2001.pdf},
2919		Number = {1},
#	Line 2042 \| Line 2953
2953		@article{gonzalo:5163,
2954		Author = {J. Gonzalo and D. Babonneau and C. N. Afonso and J.-P. Barnes},
2955		Date-Added = {2007-09-06 13:32:05 -0400},
2956	<	Date-Modified = {2007-09-06 13:32:05 -0400},
2957	<	Journal = {Journal of Applied Physics},
2956	>	Date-Modified = {2009-01-25 21:41:45 -0500},
2957	>	Journal = {J. Appl. Phys.},
2958		Keywords = {alumina; silver; copper; nanocomposites; metallic thin films; pulsed laser deposition; surface plasmon resonance; spectral line shift; nucleation; visible spectra; electron diffraction; electron microscopy},
2959		Local-Url = {file://localhost/Users/charles/Documents/Papers/Gonzalo/2004.pdf},
2960		Number = {9},
#	Line 2070 \| Line 2981
2981		@article{Malyavantham:2004cu,
2982		Author = {Malyavantham, Gokul and O'Brien, Daniel T. and Becker, Michael F. and Keto, John W. and Kovar, Desiderio},
2983		Date-Added = {2007-09-06 13:30:22 -0400},
2984	<	Date-Modified = {2007-09-06 13:30:22 -0400},
2985	<	Journal = {Journal of Nanoparticle Research},
2984	>	Date-Modified = {2009-01-25 21:57:38 -0500},
2985	>	Journal = {J. Nanopart. Res.},
2986		Local-Url = {file://localhost/Users/charles/Documents/Papers/Malyavantham/2004.pdf},
2987		Number = {6},
2988		Pages = {661 --664},
#	Line 2118 \| Line 3029
3029		@article{SpohrE._j100353a043,
3030		Author = {Spohr, E.},
3031		Date-Added = {2007-07-16 16:44:34 -0400},
3032	<	Date-Modified = {2007-07-16 16:45:17 -0400},
3032	>	Date-Modified = {2009-01-25 21:52:04 -0500},
3033		Issn = {0022-3654},
3034	<	Journal = {Journal of Physical Chemistry},
3034	>	Journal = {J. Phys. Chem.},
3035		Local-Url = {file://localhost/Users/charles/Documents/Papers/Spohr/1989.pdf},
3036		Number = {16},
3037		Pages = {6171-6180},
#	Line 2254 \| Line 3165
3165		@article{Iwamatsu:2007lr,
3166		Author = {Iwamatsu, Masao},
3167		Date-Added = {2007-07-01 16:17:54 -0400},
3168	<	Date-Modified = {2007-07-01 16:18:30 -0400},
3169	<	Journal = {Materials Science and Engineering: A},
3168	>	Date-Modified = {2009-01-25 21:45:30 -0500},
3169	>	Journal = {Mat. Sci. Eng. A},
3170		Keywords = {Binary cluster; Icosahedral cluster; Binary alloy; Glass; Undercooled liquid},
3171		Local-Url = {file://localhost/Users/charles/Documents/Papers/Iwamatsu/2007.pdf},
3172		Pages = {975--978},
#	Line 2271 \| Line 3182
3182		@article{HoneycuttJ.Dana_j100303a014,
3183		Author = {Honeycutt, J. Dana and Andersen, Hans C.},
3184		Date-Added = {2007-07-01 13:21:04 -0400},
3185	<	Date-Modified = {2007-07-01 13:21:24 -0400},
3185	>	Date-Modified = {2009-01-25 21:45:10 -0500},
3186		Issn = {0022-3654},
3187	<	Journal = {Journal of Physical Chemistry},
3187	>	Journal = {J. Phys. Chem.},
3188		Local-Url = {file://localhost/Users/charles/Documents/Papers/Honeycutt/1987.pdf},
3189		Number = {19},
3190		Pages = {4950-4963},
#	Line 2518 \| Line 3429
3429		Abstract = {Classical molecular dynamics (MD) simulations are used to investigate the effect of the nanocluster size on surface segregation phenomena of Pt alloys containing 10, 30, 50, 70 and 90{\%} Pd. Atomic distribution is examined in graphite-supported nanoclusters with approximate diameters of 2 and 4 nm, using a simulated annealing procedure with temperatures varying from 1200 down to 353 K. Following this annealing route, it is found that at concentrations of Pd below a certain threshold, Pt segregates to the surface, whereas Pd segregates to the surface when the overall concentration of Pd is above that threshold. Moreover, the threshold concentration depends on the size, being approximately 50{\%} for the 2 nm nanocluster and in the order of 60{\%} for the 4 nm nanocluster. It is also found that the percent of the surface enriched either in Pt or Pd at a given overall concentration, as well as the nature of the exposed crystallographic faces, depend significantly on the cluster size. Our studies suggest that surface segregation behavior in Pt{\^a}Pd supported nanoclusters is influenced by: differences in surface energies, interaction of the clusters with the substrate, and probably most importantly by the fabrication protocol. The implications of these issues on catalytic processes are discussed. ABSTRACT FROM AUTHOR Copyright of Molecular Simulation is the property of Taylor \& Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts)},
3430		Author = {Ramirez Caballero, G. E. and Balbuena, P. B.},
3431		Date-Added = {2007-05-04 12:08:33 -0400},
3432	<	Date-Modified = {2007-05-17 16:14:32 -0400},
3432	>	Date-Modified = {2009-01-25 21:48:26 -0500},
3433		Isbn = {08927022},
3434	<	Journal = {Molecular Simulation},
3434	>	Journal = {Mol. Sim.},
3435		Keywords = {ALLOYS; METALLIC composites; MOLECULAR dynamics; NANOPARTICLES; SURFACE chemistry; Molecular dynamics; Bimetallic particles},
3436		Local-Url = {file://localhost/Users/charles/Documents/Papers/Ramirez%20Caballero/2006.pdf},
3437		M3 = {Article},
#	Line 2600 \| Line 3511
3511		Affiliation = {Departments of Biochemistry and Biophysics and of Chemistry, Washington State University, Pullman, Washington 99164-4660},
3512		Author = {Liu, Y. and Ichiye, T.},
3513		Date-Added = {2007-04-26 16:38:23 -0400},
3514	<	Date-Modified = {2007-04-26 16:38:54 -0400},
3514	>	Date-Modified = {2009-01-25 21:53:47 -0500},
3515		Issn = {0022-3654},
3516	<	Journal = {Journal of Physical Chemistry},
3516	>	Journal = {J. Phys. Chem.},
3517		Local-Url = {file://localhost/Users/charles/Documents/Papers/jp952324t.pdf},
3518		Number = {7},
3519		Pages = {2723-2730},
#	Line 2664 \| Line 3575
3575		Affiliation = {Department of Mathematics and Statistics, The University of Melbourne, Victoria 3010, Australia},
3576		Author = {Hartland, G.V. and Hu, M. and Sader, J.E.},
3577		Date-Added = {2007-04-24 17:45:57 -0400},
3578	<	Date-Modified = {2007-04-24 17:46:53 -0400},
3578	>	Date-Modified = {2009-01-25 21:37:43 -0500},
3579		Issn = {1520-6106},
3580	<	Journal = {Journal of Physical Chemistry B},
3580	>	Journal = {J. Phys. Chem. B},
3581		Local-Url = {file://localhost/Users/charles/Documents/Papers/jp0276092.pdf},
3582		Number = {30},
3583		Pages = {7472-7478},
#	Line 2841 \| Line 3752
3752		Affiliation = {Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556},
3753		Author = {Vardeman, C.F. and Conforti, P.F. and Sprague, M.M. and Gezelter, J.D.},
3754		Date-Added = {2007-02-14 17:29:20 -0500},
3755	<	Date-Modified = {2007-02-16 15:23:00 -0500},
3755	>	Date-Modified = {2009-01-25 21:39:32 -0500},
3756		Issn = {1520-6106},
3757	<	Journal = {Journal of Physical Chemistry B},
3757	>	Journal = {J. Phys. Chem. B},
3758		Local-Url = {file://localhost/Users/charles/Documents/Papers/Vardeman/2005.pdf},
3759		Number = {35},
3760		Pages = {16695-16699},
#	Line 2875 \| Line 3786
3786		@article{PhysRevB.59.3527,
3787		Author = {Qi, Yue and \c{C}a\v{g}in, Tahir and Kimura, Yoshitaka and {Goddard III}, William A.},
3788		Date-Added = {2007-02-09 18:34:34 -0500},
3789	<	Date-Modified = {2007-05-16 15:04:34 -0400},
3789	>	Date-Modified = {2009-01-25 20:55:44 -0500},
3790		Doi = {10.1103/PhysRevB.59.3527},
3791		Journal = {Phys. Rev. B},
3792		Local-Url = {file://localhost/Users/charles/Documents/Papers/Qi/1999.pdf},
#	Line 2964 \| Line 3875
3875		Abstract = {We present a new method for constant-pressure molecular dynamics simulation which is parameter free. This method is especially appropriate for finite systems in which a periodic boundary condition does not apply. Simulations on carbon nanotubes and Ni nanoparticles clearly demonstrate the validity of the method, from which we can also easily obtain the equations of states for a finite system under external pressure. },
3876		Author = {D Y Sun and X G Gong},
3877		Date-Added = {2007-02-05 16:29:44 -0500},
3878	<	Date-Modified = {2007-02-16 15:23:00 -0500},
3879	<	Journal = {Journal of Physics: Condensed Matter},
3878	>	Date-Modified = {2009-01-25 21:51:31 -0500},
3879	>	Journal = {J. Phys.: Condens. Matter},
3880		Local-Url = {file://localhost/Users/charles/Documents/Papers/Sun/2002.pdf},
3881		Number = {26},
3882		Pages = {L487-L493},
#	Line 2999 \| Line 3910
3910		Affiliation = {Department of Chemical Engineering, University of South Carolina, Columbia, South Carolina 29208},
3911		Author = {Huang, S.-P. and Balbuena, P.B.},
3912		Date-Added = {2007-01-08 12:42:05 -0500},
3913	<	Date-Modified = {2007-05-07 17:19:56 -0400},
3913	>	Date-Modified = {2009-01-25 21:48:02 -0500},
3914		Issn = {1520-6106},
3915	<	Journal = {Journal of Physical Chemistry B},
3915	>	Journal = {J. Phys. Chem. B},
3916		Local-Url = {file://localhost/Users/charles/Documents/Papers/Huang/2002.pdf},
3917		Number = {29},
3918		Pages = {7225-7236},
#	Line 3016 \| Line 3927
3927		Address = {National Center for High-Performance Computing, No. 21, Nan-Ke 3rd Road, Hsin-Shi, Tainan, Taiwan, Republic of China},
3928		Author = {Ju, S. -P. and Lo, Y. -C. and Sun, S. -J. and Chang, J. -G.},
3929		Date-Added = {2007-01-03 18:29:53 -0500},
3930	<	Date-Modified = {2007-02-16 15:23:00 -0500},
3930	>	Date-Modified = {2009-01-25 21:45:44 -0500},
3931		Isbn = {1520-6106},
3932		Ja = {J. Phys. Chem. B},
3933		Jo = {Journal of Physical Chemistry B},
3934	<	Journal = {Journal of Physical Chemistry B},
3934	>	Journal = {J. Phys. Chem. B},
3935		Local-Url = {file://localhost/Users/charles/Documents/Papers/Ju/2005.pdf},
3936		Number = {44},
3937		Pages = {20805--20809},
#	Line 3132 \| Line 4043
4043		@article{De:1996ta,
4044		Author = {G. De and M. Gusso and L. Tapfer and M. Catalano and F. Gonella and G. Mattei and P. Mazzoldi and G. Battaglin},
4045		Date-Added = {2007-01-03 17:50:04 -0500},
4046	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4047	<	Journal = {Journal of Applied Physics},
4046	>	Date-Modified = {2009-01-25 21:40:32 -0500},
4047	>	Journal = {J. Appl. Phys.},
4048		Keywords = {COMPOSITE MATERIALS; SILVER; COPPER; SOLID CLUSTERS; SOLGEL PROCESS; THIN FILMS; SILICA; ABSORPTION SPECTRA; RBS; XRD; TEM},
4049		Local-Url = {file://localhost/Users/charles/Documents/Papers/De/1996a.pdf},
4050		Number = {12},
#	Line 3178 \| Line 4089
4089		@article{najafabadi:3144,
4090		Author = {R. Najafabadi and D. J. Srolovitz and E. Ma and M. Atzmon},
4091		Date-Added = {2007-01-03 17:48:54 -0500},
4092	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4093	<	Journal = {Journal of Applied Physics},
4092	>	Date-Modified = {2009-01-25 21:40:08 -0500},
4093	>	Journal = {J. Appl. Phys.},
4094		Keywords = {SILVER ALLOYS; COPPER ALLOYS; THERMODYNAMIC PROPERTIES; PHASE DIAGRAMS; COMPUTERIZED SIMULATION; CALORIMETRY; BINARY ALLOY SYSTEMS; FORMATION FREE ENTHALPY; LATTICE PARAMETERS; METASTABLE PHASES},
4095		Local-Url = {file://localhost/Users/charles/Documents/Papers/Najafabadi/1993.pdf},
4096		Number = {5},
#	Line 3195 \| Line 4106
4106		@article{duwez:1136,
4107		Author = {Pol Duwez and R. H. Willens and W. Klement and Jr},
4108		Date-Added = {2007-01-03 17:48:02 -0500},
4109	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4110	<	Journal = {Journal of Applied Physics},
4109	>	Date-Modified = {2009-01-25 21:02:45 -0500},
4110	>	Journal = {J. Appl. Phys.},
4111		Local-Url = {file://localhost/Users/charles/Documents/Papers/Duwez/1960.pdf},
4112		Number = {6},
4113		Pages = {1136-1137},
#	Line 3260 \| Line 4171
4171		@article{cheng:064117,
4172		Author = {Daojian Cheng and Shiping Huang and Wenchuan Wang},
4173		Date-Added = {2006-12-30 15:19:11 -0500},
4174	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4174	>	Date-Modified = {2009-01-25 21:47:53 -0500},
4175		Eid = {064117},
4176	<	Journal = {Physical Review B (Condensed Matter and Materials Physics)},
4176	>	Journal = {Phys. Rev. B},
4177		Keywords = {copper alloys; gold alloys; metal clusters; melting; melting point; Monte Carlo methods; tight-binding calculations; specific heat; bond lengths; fluctuations; deformation; doping; surface segregation},
4178		Local-Url = {file://localhost/Users/charles/Documents/Papers/Cheng/2006.pdf},
4179		Number = {6},
#	Line 3315 \| Line 4226
4226		@article{calvo:125414,
4227		Author = {F. Calvo and J. P. K. Doye},
4228		Date-Added = {2006-12-27 11:36:45 -0500},
4229	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4229	>	Date-Modified = {2009-01-25 21:49:52 -0500},
4230		Eid = {125414},
4231	<	Journal = {Physical Review B (Condensed Matter and Materials Physics)},
4231	>	Journal = {Phys. Rev. B},
4232		Keywords = {metal clusters; nanostructured materials; phase diagrams; free energy; high-pressure effects},
4233		Local-Url = {file://localhost/Users/charles/Documents/Papers/Calvo/2004.pdf},
4234		Number = {12},
#	Line 3335 \| Line 4246
4246		Abstract = {A compilation and an implementation of different methodologies to simulate NPT ensembles on finite systems is presented. In general, the methods discussed can be classified in two different groups depending on how the external pressure is applied to the system. The first approach is based on including the pressure with its conjugate thermodynamical variable, the volume, in the Lagrangian of the system. For this group four different volume definitions were considered and we assess their validity by studying the structural properties of small systems as function of pressure. In particular, we focus on the stability of the C60 molecule as well as the amorphization process of a diamond-like cluster under pressure. In the second group, the finite system (C60) is embedded in a classical fluid which serves as a pressure reservoir. We take the latter method as reference because it is closest to the experimental situation. The difficulties and the regimes where these methods can be used are also discussed.},
4247		Author = {Baltazar, S. E. and Romero, A. H. and Rodriguez-Lopez, J. L. and Terrones, H. and Martonak, R.},
4248		Date-Added = {2006-12-14 16:25:59 -0500},
4249	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4250	<	Journal = {Computational Materials Science},
4249	>	Date-Modified = {2009-01-25 21:49:25 -0500},
4250	>	Journal = {Comp. Mat. Sci.},
4251		Keywords = {High pressures, Finite systems, Volume, Molecular dynamics},
4252		Local-Url = {file://localhost/Users/charles/Documents/Papers/Baltazar/2006a.pdf},
4253		Number = {4},
#	Line 3353 \| Line 4264
4264		Author = {Kohanoff, J and Caro, A and Finnis, MW},
4265		Date = {SEP 5},
4266		Date-Added = {2006-12-14 16:21:21 -0500},
4267	<	Date-Modified = {2007-04-23 13:17:24 -0400},
4268	<	Journal = CHEMPHYSCHEM,
4267	>	Date-Modified = {2009-01-25 21:51:08 -0500},
4268	>	Journal = {Chem. Phys. Chem.},
4269		Local-Url = {file://localhost/Users/charles/Documents/Papers/Kohanoff/2005.pdf},
4270		Number = 9,
4271		Pages = {1848 - 1852},
#	Line 3367 \| Line 4278
4278		Abstract = {We report a classical molecular dynamics isothermal\–isobaric ensemble ( NPT ) implementation for the simulation of pressure effects on finite systems. The method is based on calculating the enclosed surface area by means of the Delauney triangulation method, which results in a fairly accurate description of the surface and the system volume. The external pressure is applied to the system by external forces acting on the triangulated surface covering the nanostructure. Pressure is exerted perpendicularly to every one of the Delauney triangles, by equally distributing the force to every corner of a triangle. We applied the method to finite single wall capped carbon nanotubes (SWCNTs) with different chiralities and different tube lengths ranging from 4~nm up to 30~nm. Pressure effects are studied as a function of the radii and the nanotube length, as well as as a function of temperature. Our results are in very good agreement when compared with both experimental and other theoretical results. },
4279		Author = {S E Baltazar and A H Romero and J L Rodr\'{i}guez-L\'{o}pez and R Marto\&ncaron;\'{a}k},
4280		Date-Added = {2006-12-14 15:23:48 -0500},
4281	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4282	<	Journal = {Journal of Physics: Condensed Matter},
4281	>	Date-Modified = {2009-01-25 21:49:03 -0500},
4282	>	Journal = {J. Phys.: Condens. Matter},
4283		Local-Url = {file://localhost/Users/charles/Documents/Papers/Baltazar/2006.pdf},
4284		Number = {39},
4285		Pages = {9119-9128},
#	Line 3487 \| Line 4398
4398		@article{HuM._jp020581+,
4399		Author = {Hu, M. and Hartland, G.V.},
4400		Date-Added = {2006-09-24 23:11:31 -0400},
4401	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4402	<	Journal = {Journal of Physical Chemistry B},
4401	>	Date-Modified = {2009-01-25 21:35:51 -0500},
4402	>	Journal = {J. Phys. Chem. B},
4403		Local-Url = {file://localhost/Users/charles/Documents/Papers/jp020581+.pdf},
4404		Number = {28},
4405		Pages = {7029-7033},
#	Line 3521 \| Line 4432
4432		@article{kotaidis:184702,
4433		Author = {V. Kotaidis and C. Dahmen and G. von Plessen and F. Springer and A. Plech},
4434		Date-Added = {2006-09-24 23:05:26 -0400},
4435	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4435	>	Date-Modified = {2009-01-25 21:44:46 -0500},
4436		Eid = {184702},
4437	<	Journal = {The Journal of Chemical Physics},
4437	>	Journal = {J. Chem. Phys.},
4438		Keywords = {gold; nanoparticles; water; laser beam effects; surface collisions; bubbles; evaporation; X-ray scattering},
4439		Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_124_184702.pdf},
4440		Number = {18},
#	Line 3540 \| Line 4451
4451		@article{ShibataT._ja026764r,
4452		Author = {Shibata, T. and Bunker, B.A. and Zhang, Z. and Meisel, D. and Vardeman, C.F. and Gezelter, J.D.},
4453		Date-Added = {2006-09-24 22:35:30 -0400},
4454	<	Date-Modified = {2007-07-02 14:11:36 -0400},
4455	<	Journal = {JACS},
4454	>	Date-Modified = {2009-01-25 21:28:43 -0500},
4455	>	Journal = {J. Am. Chem. Soc.},
4456		Local-Url = {file://localhost/Users/charles/Documents/Papers/ja026764r.pdf},
4457		Number = {40},
4458		Pages = {11989-11996},
#	Line 3591 \| Line 4502
4502		@article{DouY._jp003913o,
4503		Author = {Dou, Y. and Zhigilei, L.V. and Winograd, N. and Garrison, B.J.},
4504		Date-Added = {2006-09-23 18:02:53 -0400},
4505	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4506	<	Journal = {Journal of Physical Chemistry A},
4505	>	Date-Modified = {2009-01-25 21:52:28 -0500},
4506	>	Journal = {J. Phys. Chem. A},
4507		Local-Url = {file://localhost/Users/charles/Documents/Papers/jp003913o.pdf},
4508		Number = {12},
4509		Pages = {2748-2755},
#	Line 3654 \| Line 4565
4565		Year = {2005},
4566		Bdsk-File-1 = {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}}
4567
4568	<	@misc{Magruder:1994rg,
4568	>	@article{Magruder:1994rg,
4569		Author = {Magruder, III, R. H. and Osborne, Jr. , D. H. and Zuhr, R. A.},
4570		Date-Added = {2006-09-22 14:07:26 -0400},
4571	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4572	<	Journal = {Journal of Non-Crystalline Solids},
4571	>	Date-Modified = {2009-01-25 21:41:25 -0500},
4572	>	Journal = {J. Non-Cryst. Solids},
4573		Number = {2-3},
4574		Pages = {299 --303},
4575	<	Title = {Non-linear optical properties of nanometer dimension Ag---Cu particles in silica formed by sequential ion implantation},
4575	>	Title = {Non-linear optical properties of nanometer dimension {A}g-{C}u particles in silica formed by sequential ion implantation},
4576		Ty = {JOUR},
4577		Url = {http://www.sciencedirect.com/science/article/B6TXM-48N5KMY-112/2/0e487c2fae5720cdcda8b63ff74b819f},
4578		Volume = {176},
#	Line 3817 \| Line 4728
4728		Abstract = {A simple model for the interaction potential of water with a solid surface is proposed. Adsorption energy, surface structure, corrugation, and the orientational anisotropy of the interaction can be varied. The model is used to determine the dependence of the water/metal interfacial structure as a function of the adsorption energy. Adsorption of an iodide ion from the solution onto the surface is studied for two different water adsorption energies. The results confirm the interpretations of previous simulations, namely that the repulsive solvent contribution to the free energy of iodide adsorption is mostly due to the steric displacement of adsorbed water molecules.},
4729		Author = {Spohr, E.},
4730		Date-Added = {2006-08-21 18:29:05 -0400},
4731	<	Date-Modified = {2007-02-16 15:23:00 -0500},
4732	<	Journal = {Journal of Molecular Liquids},
4731	>	Date-Modified = {2009-01-25 21:51:57 -0500},
4732	>	Journal = {J. Mol. Liq.},
4733		Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle.pdf},
4734		Number = {1-2},
4735		Pages = {91--100},
#	Line 3858 \| Line 4769
4769		<key>group name</key>
4770		<string>Cu-Ag-Au clusters-theory</string>
4771		<key>keys</key>
4772	<	<string>luo:145502,rossi:105503,cheng:064117,Chushak:2001ry,Chen:2004ec,Breaux:rz,Hu:2005lr,rapallo:194308,ganesh-2006-</string>
4772	>	<string>luo:145502,rossi:105503,cheng:064117,Chen:2004ec,Chushak:2001ry,Breaux:rz,rapallo:194308,ganesh-2006-,Hu:2005lr</string>
4773		</dict>
4774		<dict>
4775		<key>group name</key>
#	Line 3882 \| Line 4793
4793		<key>group name</key>
4794		<string>Integrators</string>
4795		<key>keys</key>
4796	<	<string>Kohanoff:2005,Baltazar:2006lr,0953-8984-14-26-101</string>
4796	>	<string>Baltazar:2006lr,Kohanoff:2005,0953-8984-14-26-101</string>
4797		</dict>
4798		<dict>
4799		<key>group name</key>
#	Line 3900 \| Line 4811
4811		<key>group name</key>
4812		<string>Metallic Glass</string>
4813		<key>keys</key>
4814	<	<string>Gaukel98,Zwanzig83,Stillinger95,Blumen83,Rabani2000,Gezelter99,Rabani99,Tolman20,Weber84,Stillinger83,Kob95b,Truhlar00,Hansen86,Rabani97,Alemany98,Stillinger82,Tolman27,Belonoshko00,Lu97,Wendt78,Lewis91,Zwanzig88,Truhlar78,Klafter96,Peker93,Berne90,Qi99,Gezelter97,Parkhurst75a,Shlesinger99,Parkhurst75b,Liu92,Gezelter98a,Stillinger98,Stillinger85,Ngai81,Kob95a,Klafter94,Nagel96</string>
4814	>	<string>Zwanzig83,Stillinger95,Gaukel98,Blumen83,Rabani2000,Gezelter99,Rabani99,Tolman20,Weber84,Stillinger83,Kob95b,Truhlar00,Lewis91,Hansen86,Rabani97,Tolman27,Belonoshko00,Alemany98,Stillinger82,Klafter96,Lu97,Zwanzig88,Truhlar78,Wendt78,Peker93,Berne90,Qi99,Gezelter97,Parkhurst75a,Shlesinger99,Parkhurst75b,Liu92,Gezelter98a,Stillinger98,Stillinger85,Ngai81,Kob95a,Klafter94,Nagel96</string>
4815		</dict>
4816		<dict>
4817		<key>group name</key>
4818	+	<string>nanodiff</string>
4819	+	<key>keys</key>
4820	+	<string>SOLLIARD:1985p2137,Chen:1997p2142,GOLDSTEIN:1992p2138,MULVANEY:1993p2409,Pawlow:1909p2134,HAASE:1992p2139,Buffat:1976yq,Kohlrausch:1863zv,HengleinA._la981278w,yasuda:1100,Frenkel:2000p2400,Das:1999p2397,Tu:1992uq,TOLBERT:1996p2141,YASUDA:1996p2387,MORI:1991p2144,Hodak:2000rb,Link:1999p2468,MORI:1994p2372,JOHNSON:1989p2479,PhysRevLett.69.3747,HENGLEIN:1999p2419</string>
4821	+	</dict>
4822	+	<dict>
4823	+	<key>group name</key>
4824		<string>Nanoparticle Thermal</string>
4825		<key>keys</key>
4826		<string>PhysRevB.66.224301</string>

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Comparing trunk/chuckDissertation/dissertation.bib (file contents): Revision 3483 by chuckv, Tue Jan 13 14:39:50 2009 UTC vs. Revision 3496 by chuckv, Wed Apr 8 19:13:41 2009 UTC

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Comparing trunk/chuckDissertation/dissertation.bib (file contents):
Revision 3483 by chuckv, Tue Jan 13 14:39:50 2009 UTC vs.
Revision 3496 by chuckv, Wed Apr 8 19:13:41 2009 UTC