1 |
@string{jcp = "J. Chem. Phys."} |
2 |
@string{cpl = "Chem. Phys. Lett."} |
3 |
@string{jpc = "J. Phys. Chem."} |
4 |
@string{jpcA = "J. Phys. Chem. A"} |
5 |
@string{jpcB = "J. Phys. Chem. B"} |
6 |
@string{cp = "Chem. Phys."} |
7 |
@string{acp = "Adv. Chem. Phys."} |
8 |
@string{pra = "Phys. Rev. A"} |
9 |
@string{prb = "Phys. Rev. B"} |
10 |
@string{pre = "Phys. Rev. E"} |
11 |
@string{prl = "Phys. Rev. Lett."} |
12 |
@string{rmp = "Rev. Mod. Phys."} |
13 |
@string{jml = "J. Mol. Liq."} |
14 |
@string{mp = "Mol. Phys."} |
15 |
@string{pnas = "Proc. Natl. Acad. Sci. USA"} |
16 |
@string{jacs = "J. Am. Chem. Soc."} |
17 |
|
18 |
@Book{Berne90, |
19 |
author = {B.~J. Berne and R. Pecora}, |
20 |
title = {Dynamic Light Scattering}, |
21 |
publisher = {Robert E. Krieger Publishing Company, Inc.}, |
22 |
year = 1990, |
23 |
address = {Malabar, Florida} |
24 |
} |
25 |
|
26 |
@Article{Evans77, |
27 |
author = {D.~J. Evans}, |
28 |
title = {On the representation of orientation space}, |
29 |
journal = {Mol. Phys.}, |
30 |
year = 1977, |
31 |
volume = 34, |
32 |
pages = {317-325} |
33 |
} |
34 |
|
35 |
@Article{Tuckerman92, |
36 |
author = {M. Tuckerman and B.~J. Berne and G.~J. Martyna}, |
37 |
title = {Reversible multiple time scale molecular dynamics}, |
38 |
journal = jcp, |
39 |
year = 1992, |
40 |
volume = 97, |
41 |
pages = {1990-2001} |
42 |
} |
43 |
|
44 |
@Book{Hansen86, |
45 |
author = {J.~P. Hansen and I.~R. McDonald}, |
46 |
title = {Theory of Simple Liquids}, |
47 |
chapter = 7, |
48 |
publisher = {Academic Press}, |
49 |
year = 1986, |
50 |
address = {London}, |
51 |
pages = {199-206} |
52 |
} |
53 |
|
54 |
@Article{Angelani98, |
55 |
author = {L. Angelani and G. Parisi and G. Ruocco and G. Viliani}, |
56 |
title = {Connected Network of Minima as a Model Glass: Long |
57 |
Time Dynamics}, |
58 |
journal = prl, |
59 |
year = 1998, |
60 |
volume = 81, |
61 |
number = 21, |
62 |
pages = {4648-4651} |
63 |
} |
64 |
|
65 |
@Article{Stillinger82, |
66 |
author = {F.~H. Stillinger and T.~A. Weber}, |
67 |
title = {Hidden structure in liquids}, |
68 |
journal = pra, |
69 |
year = 1982, |
70 |
volume = 25, |
71 |
number = 2, |
72 |
pages = {978-989} |
73 |
} |
74 |
|
75 |
@Article{Stillinger83, |
76 |
author = {F.~H. Stillinger and T.~A. Weber}, |
77 |
title = {Dynamics of structural transitions in liquids}, |
78 |
journal = pra, |
79 |
year = 1983, |
80 |
volume = 28, |
81 |
number = 4, |
82 |
pages = {2408-2416} |
83 |
} |
84 |
|
85 |
@Article{Weber84, |
86 |
author = {T.~A. Weber and F.~H. Stillinger}, |
87 |
title = {The effect of density on the inherent structure in |
88 |
liquids}, |
89 |
journal = jcp, |
90 |
year = 1984, |
91 |
volume = 80, |
92 |
number = 6, |
93 |
pages = {2742-2746} |
94 |
} |
95 |
|
96 |
@Article{Stillinger85, |
97 |
author = {F.~H. Stillinger and T.~A. Weber}, |
98 |
title = {Inherent structure theory of liquids in the |
99 |
hard-sphere limit}, |
100 |
journal = jcp, |
101 |
year = 1985, |
102 |
volume = 83, |
103 |
number = 9, |
104 |
pages = {4767-4775} |
105 |
} |
106 |
|
107 |
@Article{Stillinger98, |
108 |
author = {S. Sastry and P.~G. Debenedetti and F.~H. Stillinger}, |
109 |
title = {Signatures of distinct dynamical regimes in the |
110 |
energy landscape of a glass-forming liquid}, |
111 |
journal = {Nature}, |
112 |
year = 1998, |
113 |
volume = 393, |
114 |
pages = {554-557} |
115 |
} |
116 |
|
117 |
|
118 |
@Article{Parkhurst75a, |
119 |
author = {H.~J. {Parkhurst, Jr.} and J. Jonas}, |
120 |
title = {Dense liquids. I. The effect of density and |
121 |
temperature on viscosity of tetramethylsilane and |
122 |
benzene-$\mbox{D}_6$}, |
123 |
journal = jcp, |
124 |
year = 1975, |
125 |
volume = 63, |
126 |
number = 6, |
127 |
pages = {2698-2704} |
128 |
} |
129 |
|
130 |
@Article{Parkhurst75b, |
131 |
author = {H.~J. {Parkhurst, Jr.} and J. Jonas}, |
132 |
title = {Dense liquids. II. The effect of density and |
133 |
temperature on viscosity of tetramethylsilane and |
134 |
benzene }, |
135 |
journal = jcp, |
136 |
year = 1975, |
137 |
volume = 63, |
138 |
number = 6, |
139 |
pages = {2705-2709} |
140 |
} |
141 |
|
142 |
@Article{Forester97, |
143 |
author = {T.~R. Forester and W. Smith and J.~H.~R. Clarke}, |
144 |
title = {Antibiotic activity of valinomycin - Molecular |
145 |
dynamics simulations involving the water/membrane |
146 |
interface}, |
147 |
journal = {J. Chem. Soc. - Faraday Transactions}, |
148 |
year = 1997, |
149 |
volume = 93, |
150 |
pages = {613-619} |
151 |
} |
152 |
|
153 |
@Article{Tieleman98, |
154 |
author = {D.~P. Tieleman and H.~J.~C. Berendsen}, |
155 |
title = {A molecular dynamics study of the pores formed by |
156 |
Escherichia coli OmpF porin in a fully hydrated |
157 |
palmitoyloleoylphosphatidylcholine bilayer}, |
158 |
journal = {Biophys. J.}, |
159 |
year = 1998, |
160 |
volume = 74, |
161 |
pages = {2786-2801} |
162 |
} |
163 |
|
164 |
@Article{Cascales98, |
165 |
author = {J.~J.~L. Cascales and J.~G.~H. Cifre and J.~G. de~la~Torre}, |
166 |
title = {Anaesthetic mechanism on a model biological |
167 |
membrane: A molecular dynamics simulation study}, |
168 |
journal = {J. Phys. Chem. B}, |
169 |
year = 1998, |
170 |
volume = 102, |
171 |
pages = {625-631} |
172 |
} |
173 |
|
174 |
@Article{Bassolino95, |
175 |
author = {D. Bassolino and H.~E. Alper and T.~R. Stouch}, |
176 |
title = {MECHANISM OF SOLUTE DIFFUSION THROUGH LIPID |
177 |
BILAYER-MEMBRANES BY MOLECULAR-DYNAMICS SIMULATION}, |
178 |
journal = {J. Am. Chem. Soc.}, |
179 |
year = 1995, |
180 |
volume = 117, |
181 |
pages = {4118-4129} |
182 |
} |
183 |
|
184 |
@Article{Alper95, |
185 |
author = {H.~E. Alper and T.~R. Stouch}, |
186 |
title = {ORIENTATION AND DIFFUSION OF A DRUG ANALOG IN |
187 |
BIOMEMBRANES - MOLECULAR-DYNAMICS SIMULATIONS}, |
188 |
journal = {J. Phys. Chem.}, |
189 |
year = 1995, |
190 |
volume = 99, |
191 |
pages = {5724-5731} |
192 |
} |
193 |
|
194 |
@Article{Sok92, |
195 |
author = {R.~M. Sok and H.~J.~C. Berendsen and W.~F. van~Gunsteren}, |
196 |
title = {MOLECULAR-DYNAMICS SIMULATION OF THE TRANSPORT OF |
197 |
SMALL MOLECULES ACROSS A POLYMER MEMBRANE}, |
198 |
journal = {J. Chem. Phys.}, |
199 |
year = 1992, |
200 |
volume = 96, |
201 |
pages = {4699-4704} |
202 |
} |
203 |
|
204 |
@Article{Rabani99, |
205 |
author = {E. Rabani and J.~D. Gezelter and B.~J. Berne}, |
206 |
title = {Direct Observation of Stretched-Exponential |
207 |
Relaxation in Low-Temperature Lennard-Jones Systems |
208 |
Using the Cage Correlation Function}, |
209 |
journal = prl, |
210 |
year = {1999}, |
211 |
volume = 82, |
212 |
pages = {3649} |
213 |
} |
214 |
|
215 |
@Article{Rabani97, |
216 |
author = {E. Rabani and J.~D. Gezelter and B.~J. Berne}, |
217 |
title = {Calculating the hopping rate for self-diffusion on |
218 |
rough potential energy surfaces: Cage correlations}, |
219 |
journal = {J. Chem. Phys.}, |
220 |
year = 1997, |
221 |
volume = 107, |
222 |
pages = {6867-6876} |
223 |
} |
224 |
|
225 |
@Article{Gezelter99, |
226 |
author = {J.~D. Gezelter and E. Rabani and B.~J. Berne}, |
227 |
title = {Methods for calculating the hopping rate for |
228 |
orientational and spatial diffusion in a molecular |
229 |
liquid: $\mbox{CS}_{2}$}, |
230 |
journal = jcp, |
231 |
year = 1999, |
232 |
volume = 110, |
233 |
pages = 3444 |
234 |
} |
235 |
|
236 |
@Article{Gezelter98a, |
237 |
author = {J.~D. Gezelter and E. Rabani and B.~J. Berne}, |
238 |
title = {Response to 'Comment on a Critique of the |
239 |
Instantaneous Normal Mode (INM) Approach to |
240 |
Diffusion'}, |
241 |
journal = jcp, |
242 |
year = 1998, |
243 |
volume = 109, |
244 |
pages = 4695 |
245 |
} |
246 |
|
247 |
@Article{Gezelter97, |
248 |
author = {J.~D. Gezelter and E. Rabani and B.~J. Berne}, |
249 |
title = {Can imaginary instantaneous normal mode frequencies |
250 |
predict barriers to self-diffusion?}, |
251 |
journal = jcp, |
252 |
year = 1997, |
253 |
volume = 107, |
254 |
pages = 4618 |
255 |
} |
256 |
|
257 |
@Article{Zwanzig83, |
258 |
author = {R. Zwanzig}, |
259 |
title = {On the relation between self-diffusion and viscosity |
260 |
of liquids}, |
261 |
journal = jcp, |
262 |
year = 1983, |
263 |
volume = 79, |
264 |
pages = {4507-4508} |
265 |
} |
266 |
|
267 |
@Article{Zwanzig88, |
268 |
author = {R. Zwanzig}, |
269 |
title = {Diffusion in rough potential}, |
270 |
journal = {Proc. Natl. Acad. Sci. USA}, |
271 |
year = 1988, |
272 |
volume = 85, |
273 |
pages = 2029 |
274 |
} |
275 |
|
276 |
@Article{Stillinger95, |
277 |
author = {F.~H. Stillinger}, |
278 |
title = {A Topographic View of Supercooled Liquids and Glass |
279 |
Formation}, |
280 |
journal = {Science}, |
281 |
year = 1995, |
282 |
volume = 267, |
283 |
pages = {1935-1939} |
284 |
} |
285 |
|
286 |
@InCollection{Angell85, |
287 |
author = {C.~A. Angell}, |
288 |
title = {unknown}, |
289 |
booktitle = {Relaxations in Complex Systems}, |
290 |
publisher = {National Technical Information Service, |
291 |
U.S. Department of Commerce}, |
292 |
year = 1985, |
293 |
editor = {K.~Ngai and G.~B. Wright}, |
294 |
address = {Springfield, VA}, |
295 |
pages = 1 |
296 |
} |
297 |
|
298 |
@Article{Bembenek96, |
299 |
author = {S.~D. Bembenek and B.~B. Laird}, |
300 |
title = {The role of localization in glasses and supercooled liquids}, |
301 |
journal = jcp, |
302 |
year = 1996, |
303 |
volume = 104, |
304 |
pages = 5199 |
305 |
} |
306 |
|
307 |
@Article{Sun97, |
308 |
author = {X. Sun and W.~H. Miller}, |
309 |
title = {Semiclassical initial value representation for |
310 |
electronically nonadiabatic molecular dynamics}, |
311 |
journal = jcp, |
312 |
year = 1997, |
313 |
volume = 106, |
314 |
pages = 6346 |
315 |
} |
316 |
|
317 |
@Article{Spath96, |
318 |
author = {B.~W. Spath and W.~H. Miller}, |
319 |
title = {SEMICLASSICAL CALCULATION OF CUMULATIVE REACTION |
320 |
PROBABILITIES}, |
321 |
journal = jcp, |
322 |
year = 1996, |
323 |
volume = 104, |
324 |
pages = 95 |
325 |
} |
326 |
|
327 |
@Book{Warshel91, |
328 |
author = {Arieh Warshel}, |
329 |
title = {Computer modeling of chemical reactions in enzymes |
330 |
and solutions}, |
331 |
publisher = {Wiley}, |
332 |
year = 1991, |
333 |
address = {New York} |
334 |
} |
335 |
|
336 |
@Article{Vuilleumier97, |
337 |
author = {Rodolphe Vuilleumier and Daniel Borgis}, |
338 |
title = {Molecular Dynamics of an excess proton in water |
339 |
using a non-additive valence bond force field}, |
340 |
journal = jpc, |
341 |
year = 1997, |
342 |
volume = {in press} |
343 |
} |
344 |
|
345 |
@Article{Kob95a, |
346 |
author = {W. Kob and H.~C. Andersen}, |
347 |
title = {Testing mode-coupling theory for a supercooled |
348 |
binary Lennard-Jones mixtures: The van Hove |
349 |
corraltion function}, |
350 |
journal = pre, |
351 |
year = 1995, |
352 |
volume = 51, |
353 |
pages = {4626-4641} |
354 |
} |
355 |
|
356 |
@Article{Kob95b, |
357 |
author = {W. Kob and H.~C. Andersen}, |
358 |
title = {Testing mode-coupling theory for a supercooled |
359 |
binary Lennard-Jones mixtures. II. Intermediate |
360 |
scattering function and dynamic susceptibility}, |
361 |
journal = pre, |
362 |
year = 1995, |
363 |
volume = 52, |
364 |
pages = {4134-4153} |
365 |
} |
366 |
|
367 |
@InProceedings{Gotze89, |
368 |
author = "W. G{\"{o}}tze", |
369 |
title = "Aspects of Structural Glass Transitions", |
370 |
editor = "J.~P. Hansen and D. Levesque and J. Zinn-Justin", |
371 |
volume = "I", |
372 |
pages = "287-503", |
373 |
booktitle = "Liquids, Freezing and Glass Transitions", |
374 |
year = 1989, |
375 |
publisher = "North-Holland", |
376 |
address = "Amsterdam" |
377 |
} |
378 |
|
379 |
@Article{Sun97a, |
380 |
author = "X. Sun and W.~H. Miller", |
381 |
title = {Mixed semiclassical-classical approaches to the |
382 |
dynamics of complex molecular systems}, |
383 |
journal = jcp, |
384 |
year = 1997, |
385 |
pages = 916 |
386 |
} |
387 |
|
388 |
@Article{Keshavamurthy94, |
389 |
author = "S. Keshavamurthy and W.~H. Miller", |
390 |
title = "ivr", |
391 |
journal = cpl, |
392 |
year = 1994, |
393 |
volume = 218, |
394 |
pages = 189 |
395 |
} |
396 |
|
397 |
@Article{Billing75, |
398 |
author = "G.~D. Billing", |
399 |
title = "ehrenfest", |
400 |
journal = cpl, |
401 |
year = 1975, |
402 |
volume = 30, |
403 |
pages = 391 |
404 |
} |
405 |
|
406 |
@Article{Chang90, |
407 |
author = {Y.-T. Chang and W.~H. Miller}, |
408 |
title = {An Empirical Valence Bond Model for Constructing |
409 |
Global Potential Energy Surfaces for Chemical |
410 |
Reactions of Polyatomic Molecular Systems}, |
411 |
journal = jpc, |
412 |
year = 1990, |
413 |
volume = 94, |
414 |
pages = {5884-5888} |
415 |
} |
416 |
|
417 |
@Article{Shor94, |
418 |
author = {P.W. Shor}, |
419 |
title = {Algorithms for quantum computation: discrete |
420 |
logarithms and factoring}, |
421 |
journal = {Proceedings of the 35th Annual Symposium |
422 |
on Foundations of Computer Science}, |
423 |
year = 1994, |
424 |
pages = {124-134} |
425 |
} |
426 |
|
427 |
@Article{Feynman82, |
428 |
author = {R.~P. Feynman}, |
429 |
title = {Simulating physics with computers}, |
430 |
journal = {Int. J. Theor. Phys.}, |
431 |
year = 1982, |
432 |
volume = 21, |
433 |
pages = {467-488} |
434 |
} |
435 |
|
436 |
@Article{Grover97, |
437 |
author = {L.~K. Grover}, |
438 |
title = {Quantum computers can search arbitrarily large |
439 |
databases by a single query}, |
440 |
journal = prl, |
441 |
year = 1997, |
442 |
volume = 79, |
443 |
pages = {4709-4712} |
444 |
} |
445 |
|
446 |
@Article{Chuang98, |
447 |
author = {I. Chuang and N. Gershenfeld and M. Kubinec}, |
448 |
title = {Experimental Implementation of Fast Quantum Searching}, |
449 |
journal = prl, |
450 |
year = 1998, |
451 |
volume = 80, |
452 |
pages = {3408-3411} |
453 |
} |
454 |
|
455 |
@Article{Monroe95, |
456 |
author = "C. Monroe and D.~M. Meekhof and B.~E. King and |
457 |
W.~M. Itano and D.~J. Wineland", |
458 |
title = {Demonstration of a fundamental quantum logic gate}, |
459 |
journal = prl, |
460 |
year = 1995, |
461 |
volume = 75, |
462 |
pages = 4714 |
463 |
} |
464 |
|
465 |
@Article{Lent93, |
466 |
author = "C.~S. Lent and P.~D. Tougaw and W.~Porod and |
467 |
G.~H. Bernstein", |
468 |
title = {Quantum Cellular Automata}, |
469 |
journal = {Nanotechnology}, |
470 |
year = 1993, |
471 |
volume = 4, |
472 |
pages = {49-57} |
473 |
} |
474 |
|
475 |
@Article{Barenco95, |
476 |
author = "A. Barenco and C.~H. Bennett and R. Cleve and |
477 |
D.~P. DiVincenzo and N. Margolus and P. Shor and |
478 |
T. Sleator and J.~A. Smolin and H. Weinfurter", |
479 |
title = {elementary gates for quantum computation}, |
480 |
journal = {Phys. Rev. A}, |
481 |
year = 1995, |
482 |
volume = 52, |
483 |
pages = {3457-3467} |
484 |
} |
485 |
|
486 |
@Article{Small97, |
487 |
author = {T. Reinot and J.~M. Hayes and G.~J. Small}, |
488 |
title = {Electronic dephasing and electron-phonon coupling of |
489 |
aluminum phthalocyanine tetrasulphonate in |
490 |
hyperquenched and annealed glassy films of ethanol |
491 |
and methanol over a broad temperature range}, |
492 |
journal = jcp, |
493 |
year = 1997, |
494 |
volume = 106, |
495 |
pages = {457-466} |
496 |
} |
497 |
|
498 |
@Article{Laflamme96, |
499 |
author = {R. Laflamme and C. Miquel and J.~P. Paz and W.~H. Zurek}, |
500 |
title = {A perfect quantum error correcting code: 5 bit code |
501 |
correcting a general 1 qubit error to encode 1 qubit |
502 |
of information}, |
503 |
journal = prl, |
504 |
year = 1996, |
505 |
volume = 98, |
506 |
pages = 77 |
507 |
} |
508 |
|
509 |
@Article{Shor95, |
510 |
author = {P.~W. Shor}, |
511 |
title = {SCHEME FOR REDUCING DECOHERENCE IN QUANTUM COMPUTER MEMORY}, |
512 |
journal = {Phys. Rev. A}, |
513 |
year = 1995, |
514 |
volume = 52, |
515 |
pages = {2493-2496} |
516 |
} |
517 |
|
518 |
@Article{Calderbank96, |
519 |
author = {A.~R. Calderbank and P.~W. Shor}, |
520 |
title = {Good quantum error-correcting codes exist}, |
521 |
journal = {Phys. Rev. A}, |
522 |
year = 1996, |
523 |
volume = 54, |
524 |
pages = {1098-1105} |
525 |
} |
526 |
|
527 |
@Article{Steane96, |
528 |
author = {A.~M. Steane}, |
529 |
title = {Error correcting codes in quantum theory}, |
530 |
journal = prl, |
531 |
year = 1996, |
532 |
volume = 77, |
533 |
pages = {793-797} |
534 |
} |
535 |
|
536 |
@Article{Gezelter95, |
537 |
author = {J.~D. Gezelter and W.~H. Miller}, |
538 |
title = {RESONANT FEATURES IN THE ENERGY-DEPENDENCE OF THE |
539 |
RATE OF KETENE ISOMERIZATION}, |
540 |
journal = jcp, |
541 |
year = 1995, |
542 |
volume = 103, |
543 |
pages = {7868-7876} |
544 |
} |
545 |
|
546 |
@Article{Chakrabarti92, |
547 |
author = {A.~C. Chakrabarti and D.~W. Deamer}, |
548 |
title = {PERMEABILITY OF LIPID BILAYERS TO AMINO-ACIDS AND PHOSPHATE}, |
549 |
journal = {Biochimica et Biophysica Acta}, |
550 |
year = 1992, |
551 |
volume = 1111, |
552 |
pages = {171-177} |
553 |
} |
554 |
|
555 |
@Article{Paula96, |
556 |
author = {S. Paula and A.~G. Volkov and A.~N. VanHoek and |
557 |
T.~H. Haines and D.~W. Deamer}, |
558 |
title = {Permeation of protons, potassium ions, and small |
559 |
polar molecules through phospholipid bilayers as a |
560 |
function of membrane thickness}, |
561 |
journal = {Biophys. J.}, |
562 |
year = 1996, |
563 |
volume = 70, |
564 |
pages = {339-348} |
565 |
} |
566 |
|
567 |
@Article{Little96, |
568 |
author = {H.~J. Little}, |
569 |
title = {How has molecular pharmacology contributed to our |
570 |
understanding of the mechanism(s) of general |
571 |
anesthesia?}, |
572 |
journal = {Pharmacology \& Therapeutics}, |
573 |
year = 1996, |
574 |
volume = 69, |
575 |
pages = {37-58} |
576 |
} |
577 |
|
578 |
@Article{McKinnon92, |
579 |
author = {S.~J. McKinnon and S.~L. Whittenburg and B. Brooks}, |
580 |
title = {Nonequilibrium Molecular Dynamics Simulation of |
581 |
Oxygen Diffusion through Hexadecane Monolayers with |
582 |
Varying Concentrations of Cholesterol}, |
583 |
journal = jpc, |
584 |
year = 1992, |
585 |
volume = 96, |
586 |
pages = {10497-10506} |
587 |
} |
588 |
|
589 |
@Article{Venable93, |
590 |
author = {R.~M. Venable and Y. Zhang and B.~J. Hardy and |
591 |
R.~W. Pastor}, |
592 |
title = {Molecular Dynamics Simulations of a Lipid Bilayer |
593 |
and of Hexadecane: An Investigation of Membrane Fluidity}, |
594 |
journal = {Science}, |
595 |
year = 1993, |
596 |
volume = 262, |
597 |
pages = {223-226} |
598 |
} |
599 |
|
600 |
@Article{Essmann99, |
601 |
author = {U. Essmann and M.~L. Berkowitz}, |
602 |
title = {Dynamical properties of phospholipid bilayers from |
603 |
computer simulation}, |
604 |
journal = {Biophys. J.}, |
605 |
year = 1999, |
606 |
volume = 76, |
607 |
pages = {2081-2089} |
608 |
} |
609 |
|
610 |
@Article{Tu98, |
611 |
author = {K.~C. Tu and M. Tarek and M.~L. Klein and D. Scharf}, |
612 |
title = {Effects of anesthetics on the structure of a |
613 |
phospholipid bilayer: Molecular dynamics |
614 |
investigation of halothane in the hydrated liquid |
615 |
crystal phase of dipalmitoylphosphatidylcholine}, |
616 |
journal = {Biophys. J.}, |
617 |
year = 1998, |
618 |
volume = 75, |
619 |
pages = {2123-2134} |
620 |
} |
621 |
|
622 |
@Article{Pomes96, |
623 |
author = {R. Pomes and B. Roux}, |
624 |
title = {Structure and dynamics of a proton wire: A |
625 |
theoretical study of H+ translocation along the |
626 |
single-file water chain in the gramicidin a channel}, |
627 |
journal = {Biophys. J.}, |
628 |
year = 1996, |
629 |
volume = 71, |
630 |
pages = {19-39} |
631 |
} |
632 |
|
633 |
@Article{Duwez60, |
634 |
author = {P. Duwez and R.~H. Willens and W. {Klement~Jr.}}, |
635 |
title = {Continuous Series of Metastable Solid Solutions in |
636 |
Silver-Copper Alloys}, |
637 |
journal = {J. Appl. Phys.}, |
638 |
year = 1960, |
639 |
volume = 31, |
640 |
pages = {1136-1137} |
641 |
} |
642 |
|
643 |
@Article{Peker93, |
644 |
author = {A. Peker and W.~L. Johnson}, |
645 |
title = {A highly processable metallic-glass - |
646 |
$\mbox{Zr}_{41.2}\mbox{Ti}_{13.8}\mbox{Cu}_{12.5}\mbox{Ni}_{10.0}\mbox{Be}_{22.5}$}, |
647 |
journal = {Appl. Phys. Lett.}, |
648 |
year = 1993, |
649 |
volume = 63, |
650 |
pages = {2342-2344} |
651 |
} |
652 |
|
653 |
@Article{ChoiYim97, |
654 |
author = {H. Choi-Yim and W.~L. Johnson}, |
655 |
title = {Bulk metallic glass matrix composites}, |
656 |
journal = {Appl. Phys. Lett.}, |
657 |
year = 1997, |
658 |
volume = 71, |
659 |
pages = {3808-3810} |
660 |
} |
661 |
|
662 |
@Article{Sun96, |
663 |
author = {X. Sun and S. Schneider and U. Geyer and |
664 |
W.~L. Johnson and M.~A. Nicolet}, |
665 |
title = {Oxidation and crystallization of an amorphous |
666 |
$\mbox{Zr}_{60}\mbox{Al}_{15}\mbox{Ni}_{25}$ alloy}, |
667 |
journal = {J. Mater. Res.}, |
668 |
year = 1996, |
669 |
volume = 11, |
670 |
pages = {2738-2743} |
671 |
} |
672 |
|
673 |
@Article{Heller93, |
674 |
author = {H. Heller and M. Schaefer and K. Schulten}, |
675 |
title = {MOLECULAR DYNAMICS SIMULATION OF A BILAYER OF 200 |
676 |
LIPIDS IN THE GEL AND IN THE LIQUID-CRYSTAL PHASES}, |
677 |
journal = jpc, |
678 |
year = 1993, |
679 |
volume = 97, |
680 |
pages = {8343-8360} |
681 |
} |
682 |
|
683 |
@Article{Kushick76, |
684 |
author = {J. Kushick and B.~J. Berne}, |
685 |
title = {Computer Simulation of anisotropic molecular fluids}, |
686 |
journal = jcp, |
687 |
year = 1976, |
688 |
volume = 64, |
689 |
pages = {1362-1367} |
690 |
} |
691 |
|
692 |
@Article{Berardi96, |
693 |
author = {R. Berardi and S. Orlandi and C Zannoni}, |
694 |
title = {Antiphase structures in polar smectic liquid |
695 |
crystals and their molecular origin}, |
696 |
journal = cpl, |
697 |
year = 1996, |
698 |
volume = 261, |
699 |
pages = {357-362} |
700 |
} |
701 |
|
702 |
@Article{Berardi99, |
703 |
author = {R. Berardi and S. Orlandi and C. Zannoni}, |
704 |
title = {Monte Carlo simulations of rod-like Gay-Berne |
705 |
mesogens with transverse dipoles}, |
706 |
journal = {Int. J. Mod. Phys. C}, |
707 |
year = 1999, |
708 |
volume = 10, |
709 |
pages = {477-484} |
710 |
} |
711 |
|
712 |
@Article{Pasterny2000, |
713 |
author = {K. Pasterny and E. Gwozdz and A. Brodka}, |
714 |
title = {Properties of a model liquid crystal: Polar |
715 |
Gay-Berne particles}, |
716 |
journal = {J. Mol. Liq.}, |
717 |
year = 2000, |
718 |
volume = 85, |
719 |
pages = {173-184} |
720 |
} |
721 |
|
722 |
@Article{Jorgensen83, |
723 |
author = {W.~L. Jorgensen and J. Chandrasekhar and |
724 |
J.~D. Madura and R.~W. Impey and M.~L. Klein}, |
725 |
title = {COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR |
726 |
SIMULATING LIQUID WATER}, |
727 |
journal = jcp, |
728 |
year = 1983, |
729 |
volume = 79, |
730 |
pages = {926-935} |
731 |
} |
732 |
|
733 |
@Article{Berardi98, |
734 |
author = {R. Berardi and C. Fava and C. Zannoni}, |
735 |
title = {A Gay-Berne potential for dissimilar biaxial particles}, |
736 |
journal = cpl, |
737 |
year = 1998, |
738 |
volume = 297, |
739 |
pages = {8-14} |
740 |
} |
741 |
|
742 |
@Article{Luckhurst90, |
743 |
author = {G.~R. Luckhurst and R.~A. Stephens and R.~W. Phippen}, |
744 |
title = {Computer simulation studies of anisotropic systems |
745 |
{XIX}. Mesophases formed by the Gay-Berne model mesogen}, |
746 |
journal = {Liquid Crystals}, |
747 |
year = 1990, |
748 |
volume = 8, |
749 |
pages = {451-464} |
750 |
} |
751 |
|
752 |
@Article{Gay81, |
753 |
author = {J.~G. Gay and B.~J. Berne}, |
754 |
title = {MODIFICATION OF THE OVERLAP POTENTIAL TO MIMIC A |
755 |
LINEAR SITE-SITE POTENTIAL}, |
756 |
journal = jcp, |
757 |
year = 1981, |
758 |
volume = 74, |
759 |
pages = {3316-3319} |
760 |
} |
761 |
|
762 |
@Article{Berne72, |
763 |
author = {B.~J. Berne and P. Pechukas}, |
764 |
title = {Gaussian Model Potentials for Molecular Interactions}, |
765 |
journal = jcp, |
766 |
year = 1972, |
767 |
volume = 56, |
768 |
pages = {4213-4216} |
769 |
} |
770 |
|
771 |
@Article{Perram96, |
772 |
author = {J.~W. Perram and J. Rasmussen and E. Praestgaard and |
773 |
J.~L. Lebowitz}, |
774 |
title = {Ellipsoid contact potential: Theory and relation to |
775 |
overlap potentials}, |
776 |
journal = pre, |
777 |
year = 1996, |
778 |
volume = 54, |
779 |
pages = {6565-6572} |
780 |
} |
781 |
|
782 |
@Article{Cornell95, |
783 |
author = {W.~D. Cornell and P. Cieplak and C.~I. Bayly and |
784 |
I.~R. Gould and K.~M. {Merz, Jr.} and D.~M. Ferguson |
785 |
and D.~C. Spellmeyer and T. Fox and J.~W. Caldwell |
786 |
and P.~A. Kollman}, |
787 |
title = {A second generation force field for the simulation |
788 |
of proteins and nucleic acids}, |
789 |
journal = jacs, |
790 |
year = 1995, |
791 |
volume = 117, |
792 |
pages = {5179-5197} |
793 |
} |
794 |
|
795 |
@Article{Brooks83, |
796 |
author = {B.~R. Brooks and R.~E. Bruccoleri and B.~D. Olafson |
797 |
and D.~J. States and S. Swaminathan and M. Karplus}, |
798 |
title = {{\sc charmm}: A Program for Macromolecular Energy, Minimization, and Dynamics Calculations}, |
799 |
journal = {J. Comp. Chem.}, |
800 |
year = 1983, |
801 |
volume = 4, |
802 |
pages = {187-217} |
803 |
} |
804 |
|
805 |
@InCollection{MacKerell98, |
806 |
author = {A.~D. {MacKerell, Jr.} and B. Brooks and |
807 |
C.~L. {Brooks III} and L. Nilsson and B. Roux and |
808 |
Y. Won and and M. Karplus}, |
809 |
title = {{\sc charmm}: The Energy Function and Its Parameterization |
810 |
with an Overview of the Program}, |
811 |
booktitle = {The Encyclopedia of Computational Chemistry}, |
812 |
pages = {271-277}, |
813 |
publisher = {John Wiley \& Sons}, |
814 |
year = 1998, |
815 |
editor = {P.~v.~R. {Schleyer, {\it et al.}}}, |
816 |
volume = 1, |
817 |
address = {New York} |
818 |
} |
819 |
|
820 |
@InCollection{Jorgensen98, |
821 |
author = {W.~L. Jorgensen}, |
822 |
title = {OPLS Force Fields}, |
823 |
booktitle = {The Encyclopedia of Computational Chemistry}, |
824 |
pages = {1986-1989}, |
825 |
publisher = {John Wiley \& Sons}, |
826 |
year = 1998, |
827 |
editor = {P.~v.~R. {Schleyer, {\it et al.}}}, |
828 |
volume = 3, |
829 |
address = {New York} |
830 |
} |
831 |
|
832 |
@Article{Rabani2000, |
833 |
author = {E. Rabani and J.~D. Gezelter and B.~J. Berne}, |
834 |
title = {Reply to `Comment on ``Direct Observation of |
835 |
Stretched-Exponential Relaxation in Low-Temperature |
836 |
Lennard-Jones Systems Using th eCage Correlation |
837 |
Function'' '}, |
838 |
journal = prl, |
839 |
year = 2000, |
840 |
volume = 85, |
841 |
pages = 467 |
842 |
} |
843 |
|
844 |
@Book{Cevc87, |
845 |
author = {G. Cevc and D. Marsh}, |
846 |
title = {Phospholipid Bilayers}, |
847 |
publisher = {John Wiley \& Sons}, |
848 |
year = 1987, |
849 |
address = {New York} |
850 |
} |
851 |
|
852 |
@Article{Janiak79, |
853 |
author = {M.~J. Janiak and D.~M. Small and G.~G. Shipley}, |
854 |
title = {Temperature and Compositional Dependence of the |
855 |
Structure of Hydrated Dimyristoyl Lecithin}, |
856 |
journal = {J. Biol. Chem.}, |
857 |
year = 1979, |
858 |
volume = 254, |
859 |
pages = {6068-6078} |
860 |
} |
861 |
|
862 |
@Book{Tobias90, |
863 |
author = {Sheila Tobias}, |
864 |
title = {They're not Dumb. They're Different: Stalking the |
865 |
Second Tier}, |
866 |
publisher = {Research Corp.}, |
867 |
year = 1990, |
868 |
address = {Tucson} |
869 |
} |
870 |
|
871 |
@Article{Mazur92, |
872 |
author = {E. Mazur}, |
873 |
title = {Qualitative vs. Quantititative Thinking: Are we |
874 |
teaching the right thing? }, |
875 |
journal = {Optics and Photonics News}, |
876 |
year = 1992, |
877 |
volume = 3, |
878 |
pages = 38 |
879 |
} |
880 |
|
881 |
@Book{Mazur97, |
882 |
author = {Eric Mazur}, |
883 |
title = {Peer Instruction: A User's Manual}, |
884 |
publisher = {Prentice Hall}, |
885 |
year = 1997, |
886 |
address = {New Jersey} |
887 |
} |
888 |
|
889 |
@Article{Wigner55, |
890 |
author = {E.~P. Wigner}, |
891 |
title = {Characteristic Vectors of Bordered Matrices with |
892 |
Infinite Dimensions}, |
893 |
journal = {Annals of Mathematics}, |
894 |
year = 1955, |
895 |
volume = 62, |
896 |
pages = {548-564} |
897 |
} |
898 |
|
899 |
@Article{Gaukel98, |
900 |
author = {C. Gaukel and H.~R. Schober}, |
901 |
title = {Diffusion Mechanisms in under-cooled Binary Metal |
902 |
Liquids of $\mbox{Zr}_{67}\mbox{Cu}_{33}$}, |
903 |
journal = {Solid State Comm.}, |
904 |
year = 1998, |
905 |
volume = 107, |
906 |
pages = {1-5} |
907 |
} |
908 |
|
909 |
@Article{Qi99, |
910 |
author = {Y. Qi and T. \c{C}a\v{g}in and Y. |
911 |
Kimura and W.~A. {Goddard III}}, |
912 |
title = {Molecular-dynamics simulations of glass formation |
913 |
and crystallization in binary liquid metals: $\mbox{Cu-Ag}$ |
914 |
and $\mbox{Cu-Ni}$}, |
915 |
journal = prb, |
916 |
year = 1999, |
917 |
volume = 59, |
918 |
number = 5, |
919 |
pages = {3527-3533} |
920 |
} |
921 |
|
922 |
@Article{Khorunzhy97, |
923 |
author = {A. Khorunzhy and G.~J. Rodgers}, |
924 |
title = {Eigenvalue distribution of large dilute random matrices}, |
925 |
journal = {J. Math. Phys.}, |
926 |
year = 1997, |
927 |
volume = 38, |
928 |
pages = {3300-3320} |
929 |
} |
930 |
|
931 |
@Article{Rodgers88, |
932 |
author = {G.~J. Rodgers and A. Bray}, |
933 |
title = {Density of States of a Sparse Random Matrix}, |
934 |
journal = {Phys. Rev. B}, |
935 |
year = 1988, |
936 |
volume = 37, |
937 |
pages = 355703562 |
938 |
} |
939 |
|
940 |
@Article{Rodgers90, |
941 |
author = {G.~J. Rodgers and C. {De Dominicis}}, |
942 |
title = {Density of states of sparse random matrices}, |
943 |
journal = {J. Phys. A: Math. Gen.}, |
944 |
year = 1990, |
945 |
volume = 23, |
946 |
pages = {1567-1573} |
947 |
} |
948 |
|
949 |
@InProceedings{Barker80, |
950 |
author = {J.~A. Barker}, |
951 |
title = {Reaction field method for polar fluids}, |
952 |
booktitle = {The problem of long-range forces in the computer |
953 |
simulation of condensed matter}, |
954 |
pages = {45-6}, |
955 |
year = 1980, |
956 |
editor = {D. Ceperley}, |
957 |
volume = 9, |
958 |
series = {NRCC Workshop Proceedings} |
959 |
} |
960 |
|
961 |
@Article{Smith82, |
962 |
author = {W. Smith}, |
963 |
title = {Point multipoles in the Ewald summation}, |
964 |
journal = {CCP5 Quarterly}, |
965 |
year = 1982, |
966 |
volume = 4, |
967 |
pages = {13-25} |
968 |
} |
969 |
|
970 |
@Article{Daw84, |
971 |
author = {M.~S. Daw and M.~I. Baskes}, |
972 |
title = {Embedded-atom method: Derivation and application to |
973 |
impurities, surfaces, and other defects in metals}, |
974 |
journal = prb, |
975 |
year = 1984, |
976 |
volume = 29, |
977 |
number = 12, |
978 |
pages = {6443-6453} |
979 |
} |
980 |
|
981 |
|
982 |
@Article{Chen90, |
983 |
author = {A.~P. Sutton and J. Chen}, |
984 |
title = {Long-Range $\mbox{Finnis Sinclair}$ Potentials}, |
985 |
journal = {Phil. Mag. Lett.}, |
986 |
year = 1990, |
987 |
volume = 61, |
988 |
pages = {139-146} |
989 |
} |
990 |
|
991 |
@Article{Lu97, |
992 |
author = {J. Lu and J.~A. Szpunar}, |
993 |
title = {Applications of the embedded-atom method to glass |
994 |
formation and crystallization of liquid and glass |
995 |
transition-metal nickel}, |
996 |
journal = {Phil. Mag. A}, |
997 |
year = {1997}, |
998 |
volume = {75}, |
999 |
pages = {1057-1066}, |
1000 |
} |
1001 |
|
1002 |
@Article{Shlesinger99, |
1003 |
author = {M.~F. Shlesinger and J. Klafter and G. Zumofen}, |
1004 |
title = {Above, below, and beyond Brownian motion}, |
1005 |
journal = {Am. J. Phys.}, |
1006 |
year = 1999, |
1007 |
volume = 67, |
1008 |
pages = {1253-1259} |
1009 |
} |
1010 |
|
1011 |
@Article{Klafter96, |
1012 |
author = {J. Klafter and M. Shlesinger and G. Zumofen}, |
1013 |
title = {Beyond Brownian Motion}, |
1014 |
journal = {Physics Today}, |
1015 |
year = 1996, |
1016 |
volume = 49, |
1017 |
pages = {33-39} |
1018 |
} |
1019 |
|
1020 |
@Article{Blumen83, |
1021 |
author = {A. Blumen and J. Klafter and G. Zumofen}, |
1022 |
title = {Recombination in amorphous materials as a |
1023 |
continuous-time random-walk problem}, |
1024 |
journal = {Phys. Rev. B}, |
1025 |
year = 1983, |
1026 |
volume = 27, |
1027 |
pages = {3429-3435} |
1028 |
} |
1029 |
|
1030 |
@Article{Klafter94, |
1031 |
author = {J. Klafter and G. Zumofen}, |
1032 |
title = {Probability Distributions for Continuous-Time Random |
1033 |
Walks with Long Tails}, |
1034 |
journal = jpc, |
1035 |
year = 1994, |
1036 |
volume = 98, |
1037 |
pages = {7366-7370} |
1038 |
} |
1039 |
|
1040 |
|
1041 |
@Article{Dzugutov92, |
1042 |
author = {M. Dzugutov}, |
1043 |
title = {Glass formation in a simple monatomic liquid with |
1044 |
icosahedral inherent local order}, |
1045 |
journal = pra, |
1046 |
year = 1992, |
1047 |
volume = 46, |
1048 |
pages = {R2984-R2987} |
1049 |
} |
1050 |
|
1051 |
@Article{Moore94, |
1052 |
author = {P. Moore and T. Keyes}, |
1053 |
title = {Normal Mode Analysis of Liquid $\mbox{CS}_2$: Velocity |
1054 |
Correlation Functions and Self-Diffusion Constants}, |
1055 |
journal = jcp, |
1056 |
year = 1994, |
1057 |
volume = 100, |
1058 |
pages = 6709 |
1059 |
} |
1060 |
|
1061 |
@Article{Seeley89, |
1062 |
author = {G. Seeley and T. Keyes}, |
1063 |
title = {Normal-mode analysis of liquid-state dynamics}, |
1064 |
journal = jcp, |
1065 |
year = 1989, |
1066 |
volume = 91, |
1067 |
pages = {5581-5586} |
1068 |
} |
1069 |
|
1070 |
@Article{Madan90, |
1071 |
author = {B. Madan and T. Keyes and G. Seeley}, |
1072 |
title = {Diffusion in supercooled liquids via normal mode |
1073 |
analysis}, |
1074 |
journal = jcp, |
1075 |
year = 1990, |
1076 |
volume = 92, |
1077 |
pages = {7565-7569} |
1078 |
} |
1079 |
|
1080 |
@Article{Madan91, |
1081 |
author = {B. Madan and T. Keyes and G. Seeley}, |
1082 |
title = {Normal mode analysis of the velocity correlation |
1083 |
function in supercooled liquids}, |
1084 |
journal = jcp, |
1085 |
year = 1991, |
1086 |
volume = 94, |
1087 |
pages = {6762-6769} |
1088 |
} |
1089 |
|
1090 |
@Article{Buchner92, |
1091 |
author = {M. Buchner, B.~M. Ladanyi and R.~M. Stratt}, |
1092 |
title = {The short-time dynamics of molecular |
1093 |
liquids. Instantaneous-normal-mode theory}, |
1094 |
journal = jcp, |
1095 |
year = 1992, |
1096 |
volume = 97, |
1097 |
pages = {8522-8535} |
1098 |
} |
1099 |
|
1100 |
@Article{Wan94, |
1101 |
author = {Yi. Wan and R.~M. Stratt}, |
1102 |
title = {Liquid theory for the instantaneous normal modes of |
1103 |
a liquid}, |
1104 |
journal = jcp, |
1105 |
year = 1994, |
1106 |
volume = 100, |
1107 |
pages = {5123-5138} |
1108 |
} |
1109 |
|
1110 |
@article{Stratt95, |
1111 |
author = {R.~M. Stratt}, |
1112 |
title = {The instantaneous normal modes of liquids}, |
1113 |
journal = {Acc. Chem. Res.}, |
1114 |
year = 1995, |
1115 |
volume = 28, |
1116 |
pages = {201-207} |
1117 |
} |
1118 |
|
1119 |
@Article{Nitzan95, |
1120 |
author = {G.~V. Vijayadamodar and A. Nitzan}, |
1121 |
title = {On the application of instantaneous normal mode |
1122 |
analysis to long time dynamics of liquids}, |
1123 |
journal = jcp, |
1124 |
year = 1995, |
1125 |
volume = 103, |
1126 |
pages = {2169-2177} |
1127 |
} |
1128 |
|
1129 |
@Article{Ribeiro98, |
1130 |
author = "M.~C.~C. Ribeiro and P.~A. Madden", |
1131 |
title = "Unstable Modes in Ionic Melts", |
1132 |
journal = jcp, |
1133 |
year = 1998, |
1134 |
volume = 108, |
1135 |
pages = {3256-3263} |
1136 |
} |
1137 |
|
1138 |
@Article{Keyes98a, |
1139 |
author = {T. Keyes and W.-X. Li and U.~Z{\"{u}}rcher}, |
1140 |
title = {Comment on a critique of the instantaneous normal |
1141 |
mode (INM) approach to diffusion |
1142 |
(J. Chem. Phys. {\bf 107}, 4618 (1997))}, |
1143 |
journal = jcp, |
1144 |
year = 1998, |
1145 |
volume = 109, |
1146 |
pages = {4693-4694} |
1147 |
} |
1148 |
|
1149 |
@Article{Alemany98, |
1150 |
author = {M.~M.~G. Alemany and C. Rey and L.~J. Gallego}, |
1151 |
title = {Transport coefficients of liquid transition metals: |
1152 |
A computer simulation study using the embedded atom |
1153 |
model}, |
1154 |
journal = jcp, |
1155 |
year = 1998, |
1156 |
volume = 109, |
1157 |
pages = {5175-5176} |
1158 |
} |
1159 |
|
1160 |
@Article{Belonoshko00, |
1161 |
author = {A.~B. Belonoshko and R. Ahuja and O. Eriksson and |
1162 |
B. Johansson}, |
1163 |
title = {Quasi ab initio molecular dynamic study of Cu melting}, |
1164 |
journal = prb, |
1165 |
year = 2000, |
1166 |
volume = 61, |
1167 |
pages = {3838-3844} |
1168 |
} |
1169 |
|
1170 |
@Article{Banhart92, |
1171 |
author = {J. Banhart and H. Ebert and R. Kuentzler and |
1172 |
J. Voitl\"{a}nder}, |
1173 |
title = {Electronic properties of single-phased metastable |
1174 |
Ag-Cu alloys}, |
1175 |
journal = prb, |
1176 |
year = 1992, |
1177 |
volume = 46, |
1178 |
pages = {9968-9975} |
1179 |
} |
1180 |
|
1181 |
@Article{Wendt78, |
1182 |
author = {H. Wendt and F.~F. Abraham}, |
1183 |
title = {}, |
1184 |
journal = prl, |
1185 |
year = 1978, |
1186 |
volume = 41, |
1187 |
pages = 1244 |
1188 |
} |
1189 |
|
1190 |
@Article{Lewis91, |
1191 |
author = {L.~J. Lewis}, |
1192 |
title = {Atomic dynamics through the glass transition}, |
1193 |
journal = prb, |
1194 |
year = 1991, |
1195 |
volume = 44, |
1196 |
pages = {4245-4254} |
1197 |
} |
1198 |
|
1199 |
@Article{Liu92, |
1200 |
author = {R.~S. Liu and D.~W. Qi and S. Wang}, |
1201 |
title = {Subpeaks of structure factors for rapidly quenched metals}, |
1202 |
journal = prb, |
1203 |
year = 1992, |
1204 |
volume = 45, |
1205 |
pages = {451-453} |
1206 |
} |
1207 |
|
1208 |
@Book{pliny, |
1209 |
author = {Pliny}, |
1210 |
title = {Hist. Nat.}, |
1211 |
publisher = { }, |
1212 |
year = { }, |
1213 |
volume = {XXXVI} |
1214 |
} |
1215 |
|
1216 |
@Article{Anheuser94, |
1217 |
author = {K. Anheuser and J.P. Northover}, |
1218 |
title = {Silver plating of Roman and Celtic coins from Britan - a technical study}, |
1219 |
journal = {Brit. Num. J.}, |
1220 |
year = 1994, |
1221 |
volume = 64, |
1222 |
pages = 22 |
1223 |
} |
1224 |
|
1225 |
@Article{Pense92, |
1226 |
author = {A. W. Pense}, |
1227 |
title = {The Decline and Fall of the Roman Denarius}, |
1228 |
journal = {Mat. Char.}, |
1229 |
year = 1992, |
1230 |
volume = 29, |
1231 |
pages = 213 |
1232 |
} |
1233 |
|
1234 |
@Article{Ngai81, |
1235 |
author = {K.~L. Ngai and F.-S. Liu}, |
1236 |
title = {Dispersive diffusion transport and noise, |
1237 |
time-dependent diffusion coefficient, generalized |
1238 |
Einstein-Nernst relation, and dispersive |
1239 |
diffusion-controlled unimolecular and bimolecular |
1240 |
reactions}, |
1241 |
journal = prb, |
1242 |
year = 1981, |
1243 |
volume = 24, |
1244 |
pages = {1049-1065} |
1245 |
} |
1246 |
|
1247 |
@Unpublished{Truhlar00, |
1248 |
author = {D.~G. Truhlar and A. Kohen}, |
1249 |
note = {private correspondence} |
1250 |
} |
1251 |
|
1252 |
@Article{Truhlar78, |
1253 |
author = {Donald G. Truhlar}, |
1254 |
title = {Interpretation of the Activation Energy}, |
1255 |
journal = {J. Chem. Ed.}, |
1256 |
year = 1978, |
1257 |
volume = 55, |
1258 |
pages = 309 |
1259 |
} |
1260 |
|
1261 |
@Book{Tolman27, |
1262 |
author = {R. C. Tolman}, |
1263 |
title = {Statistical Mechanics with Applications to Physics and Chemistry}, |
1264 |
chapter = {}, |
1265 |
publisher = {Chemical Catalog Co.}, |
1266 |
address = {New York}, |
1267 |
year = 1927, |
1268 |
pages = {260-270} |
1269 |
} |
1270 |
|
1271 |
@Article{Tolman20, |
1272 |
author = {R. C. Tolman}, |
1273 |
title = {Statistical Mechanics Applied to Chemical Kinetics}, |
1274 |
journal = jacs, |
1275 |
year = 1920, |
1276 |
volume = 42, |
1277 |
pages = 2506 |
1278 |
} |
1279 |
|
1280 |
@Article{Nagel96, |
1281 |
author = {M.D. Ediger and C.A. Angell and Sidney R. Nagel}, |
1282 |
title = {Supercooled Liquids and Glasses}, |
1283 |
journal = jpc, |
1284 |
year = 1996, |
1285 |
volume = 100, |
1286 |
pages = 13200 |
1287 |
} |
1288 |
|
1289 |
@InBook{Blumen86, |
1290 |
author = {A. Blumen and J. Klafter and G. Zumofen}, |
1291 |
editor = {Luciano Peitronero and E. Tosatti}, |
1292 |
title = {Fractals in Physics}, |
1293 |
chapter = {Reactions in Disordered Media Modelled by Fractals}, |
1294 |
publisher = {North-Holland}, |
1295 |
year = 1986, |
1296 |
series = {International Symposium on Fractals in Physics}, |
1297 |
address = {Amsterdam}, |
1298 |
pages = 399 |
1299 |
} |
1300 |
|
1301 |
@Article{Shlesinger84, |
1302 |
author = {M.~F. Shlesinger and E.~W. Montroll}, |
1303 |
title = {On the Williams-Watts function of dielectric relaxation}, |
1304 |
journal = {Proc. Natl. Acad. Sci. USA}, |
1305 |
year = 1984, |
1306 |
volume = 81, |
1307 |
pages = {1280-1283} |
1308 |
} |
1309 |
|
1310 |
@Article{Klafter86, |
1311 |
author = {J. Klafter and M.~F. Shlesinger}, |
1312 |
title = {On the relationship among three theories of |
1313 |
relaxation in disordered systems}, |
1314 |
journal = {Proc. Natl. Acad. Sci. USA}, |
1315 |
year = 1986, |
1316 |
volume = 83, |
1317 |
pages = {848-851} |
1318 |
} |
1319 |
|
1320 |
@Article{Li2001, |
1321 |
author = {Z. Li and M. Lieberman and W. Hill}, |
1322 |
title = {{\sc xps} and {\sc sers} Study of Silicon Phthalocyanine |
1323 |
Monolayers: umbrella vs. octopus design strategies |
1324 |
for formation of oriented {\sc sam}s}, |
1325 |
journal = {Langmuir}, |
1326 |
year = 2001, |
1327 |
volume = 17, |
1328 |
pages = {4887-4894} |
1329 |
} |
1330 |
|
1331 |
@Article{Evans1993, |
1332 |
author = {J.~W. Evans}, |
1333 |
title = {Random and Cooperative Sequential Adsorption}, |
1334 |
journal = rmp, |
1335 |
year = 1993, |
1336 |
volume = 65, |
1337 |
pages = {1281-1329} |
1338 |
} |
1339 |
|
1340 |
|
1341 |
@Article{Dwyer1977, |
1342 |
author = {D.~J. Dwyer and G.~W. Simmons and R.~P. Wei}, |
1343 |
title = {}, |
1344 |
journal = {Surf. Sci.}, |
1345 |
year = 1977, |
1346 |
volume = 64, |
1347 |
pages = 617 |
1348 |
} |
1349 |
|
1350 |
@Article{Macritche1978, |
1351 |
author = {F. MacRitche}, |
1352 |
title = {}, |
1353 |
journal = {Adv. Protein Chem.}, |
1354 |
year = 1978, |
1355 |
volume = 32, |
1356 |
pages = 283 |
1357 |
} |
1358 |
|
1359 |
@Article{Feder1980, |
1360 |
author = {J. Feder}, |
1361 |
title = {}, |
1362 |
journal = {J. Theor. Biol.}, |
1363 |
year = 1980, |
1364 |
volume = 87, |
1365 |
pages = 237 |
1366 |
} |
1367 |
|
1368 |
@Article{Ramsden1993, |
1369 |
author = {J.~J. Ramsden}, |
1370 |
title = {}, |
1371 |
journal = prl, |
1372 |
year = 1993, |
1373 |
volume = 71, |
1374 |
pages = 295 |
1375 |
} |
1376 |
|
1377 |
|
1378 |
@Article{Egelhoff1989, |
1379 |
author = {W.~F. Egelhoff and I. Jacob}, |
1380 |
title = {}, |
1381 |
journal = prl, |
1382 |
year = 1989, |
1383 |
volume = 62, |
1384 |
pages = 921 |
1385 |
} |
1386 |
|
1387 |
|
1388 |
@Article{Viot1992a, |
1389 |
author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot}, |
1390 |
title = {RANDOM SEQUENTIAL ADSORPTION OF ANISOTROPIC |
1391 |
PARTICLES 1. JAMMING LIMIT AND ASYMPTOTIC-BEHAVIOR}, |
1392 |
journal = jpc, |
1393 |
year = 1992, |
1394 |
volume = 97, |
1395 |
pages = {5212-5218} |
1396 |
} |
1397 |
|
1398 |
@Article{Viot1992b, |
1399 |
author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot}, |
1400 |
title = {SATURATION COVERAGE IN RANDOM SEQUENTIAL ADSORPTION |
1401 |
OF VERY ELONGATED PARTICLES}, |
1402 |
journal = {Physica A}, |
1403 |
year = 1992, |
1404 |
volume = 191, |
1405 |
pages = {248-252} |
1406 |
} |
1407 |
|
1408 |
@Article{Dobson1987, |
1409 |
author = {B.~W. Dobson}, |
1410 |
title = {}, |
1411 |
journal = prb, |
1412 |
year = 1987, |
1413 |
volume = 36, |
1414 |
pages = 1068 |
1415 |
} |
1416 |
|
1417 |
@Article{Boyer1995, |
1418 |
author = {D. Boyer and P. Viot and G. Tarjus and J. Talbot}, |
1419 |
title = {PERCUS-$\mbox{Y}$EVICK-LIKE INTERGRAL EQUATION FOR RANDOM SEQUENTIAL |
1420 |
ADSORPTION}, |
1421 |
journal = jcp, |
1422 |
year = 1995, |
1423 |
volume = 103, |
1424 |
pages = 1607 |
1425 |
} |
1426 |
|
1427 |
@Article{Viot1992c, |
1428 |
author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot}, |
1429 |
title = {SATURATION COVERAGE OF HIGHLY ELONGATED ANISOTROPIC |
1430 |
PARTICLES}, |
1431 |
journal = {Physica A}, |
1432 |
year = 1992, |
1433 |
volume = 191, |
1434 |
pages = {248-252} |
1435 |
} |
1436 |
|
1437 |
@Article{Ricci1994, |
1438 |
author = {S.~M. Ricci and J. Talbot and G. Tarjus and P. Viot}, |
1439 |
title = {A STRUCTURAL COMPARISON OF RANDOM SEQUENTIAL ADSORPTION AND |
1440 |
EQUILIBRIUM CONFIGURATIONS OF SPHEROCYLINDERS}, |
1441 |
journal = jcp, |
1442 |
year = 1994, |
1443 |
volume = 101, |
1444 |
pages = 9164 |
1445 |
} |
1446 |
|
1447 |
@Article{Semmler1998, |
1448 |
author = {M. Semmler and E.~K. Mann and J. Ricka and M. Borkovec}, |
1449 |
title = {Diffusional Deposition of Charged Latex Particles on |
1450 |
Water-Solid Interfaces at Low Ionic Strength}, |
1451 |
journal = {Langmuir}, |
1452 |
year = 1998, |
1453 |
volume = 14, |
1454 |
pages = {5127-5132} |
1455 |
} |
1456 |
|
1457 |
@Article{Solomon1986, |
1458 |
author = {H. Solomon and H. Weiner}, |
1459 |
title = {A REVIEW OF THE PACKING PROBLEM}, |
1460 |
journal = {Comm. Statistics A}, |
1461 |
year = 1986, |
1462 |
volume = 15, |
1463 |
pages = {2571-2607} |
1464 |
} |
1465 |
|
1466 |
@Article{Bonnier1993, |
1467 |
author = {B. Bonnier and M. Hontebeyrie and C. Meyers}, |
1468 |
title = {ON THE RANDOM FILLING OF R(D) BY NONOVERLAPPING |
1469 |
D-DIMENSIONAL CUBES}, |
1470 |
journal = {Physica A}, |
1471 |
year = 1993, |
1472 |
volume = 198, |
1473 |
pages = {1-10} |
1474 |
} |
1475 |
|
1476 |
@Book{Frenkel1996, |
1477 |
author = {D. Frenkel and B. Smit}, |
1478 |
title = {Understanding Molecular Simulation : From Algorithms |
1479 |
to Applications}, |
1480 |
publisher = {Academic Press}, |
1481 |
year = 1996, |
1482 |
address = {New York} |
1483 |
|
1484 |
|
1485 |
} |
1486 |
|
1487 |
@Article{Dullweber1997, |
1488 |
author = {A. Dullweber and B. Leimkuhler and R. McLachlan}, |
1489 |
title = {Symplectic splitting methods for rigid body molecular |
1490 |
dynamics}, |
1491 |
journal = jcp, |
1492 |
year = 1997, |
1493 |
volume = 107, |
1494 |
number = 15, |
1495 |
pages = {5840-5851} |
1496 |
} |
1497 |
|
1498 |
@Article{Siepmann1998, |
1499 |
author = {M. Martin and J.~I. Siepmann}, |
1500 |
title = {Transferable Potentials for Phase Equilibria. 1. United-Atom |
1501 |
Description of n-Alkanes}, |
1502 |
journal = jpcB, |
1503 |
year = 1998, |
1504 |
volume = 102, |
1505 |
pages = {2569-2577} |
1506 |
} |
1507 |
|
1508 |
@Article{Marrink01, |
1509 |
author = {S.~J. Marrink and E. Lindahl and O. Edholm and A.~E. Mark}, |
1510 |
title = {Simulations of the Spontaneous Aggregation of Phospholipids |
1511 |
into Bilayers}, |
1512 |
journal = jacs, |
1513 |
year = 2001, |
1514 |
volume = 123, |
1515 |
pages = {8638-8639} |
1516 |
} |
1517 |
|
1518 |
@Article{Liu96, |
1519 |
author = {Y. Liu and T. Ichiye}, |
1520 |
title = {Soft sticky dipole potential for liquid water: a new model}, |
1521 |
journal = jpc, |
1522 |
year = 1996, |
1523 |
volume = 100, |
1524 |
pages = {2723-2730} |
1525 |
} |
1526 |
|
1527 |
@Article{liu96:monte_carlo, |
1528 |
author = {Y. Liu and T. Ichiye}, |
1529 |
title = {The static dielectric constant of the soft sticky dipole model of liquid water: $\mbox{Monte Carlo}$ simulation}, |
1530 |
journal = {Chemical Physics Letters}, |
1531 |
year = 1996, |
1532 |
volume = 256, |
1533 |
pages = {334-340} |
1534 |
} |
1535 |
|
1536 |
@Article{chandra99:ssd_md, |
1537 |
author = {A. Chandra and T. Ichiye}, |
1538 |
title = {Dynamical properties of the soft sticky dipole model of water: Molecular dynamics simulation}, |
1539 |
journal = {Journal of Chemical Physics}, |
1540 |
year = 1999, |
1541 |
volume = 111, |
1542 |
number = 6, |
1543 |
pages = {2701-2709} |
1544 |
} |
1545 |
|
1546 |
@Book{allen87:csl, |
1547 |
author = {M.~P. Allen and D.~J. Tildesley}, |
1548 |
title = {Computer Simulations of Liquids}, |
1549 |
publisher = {Oxford University Press}, |
1550 |
year = 1987, |
1551 |
address = {New York} |
1552 |
} |
1553 |
|
1554 |
@Book{leach01:mm, |
1555 |
author = {A. Leach}, |
1556 |
title = {Molecular Modeling: Principles and Applications}, |
1557 |
publisher = {Pearson Educated Limited}, |
1558 |
year = 2001, |
1559 |
address = {Harlow, England}, |
1560 |
edition = {2nd} |
1561 |
} |
1562 |
|
1563 |
|
1564 |
@Article{katsaras00, |
1565 |
author = {J. Katsaras and S. Tristram-Nagle and Y. Liu and R.~L. Headrick and E. Fontes and P.~C. Mason and J.~F. Nagle}, |
1566 |
title = {Clarification of the ripple phase of lecithin bilayers using fully hydrated, aligned samples}, |
1567 |
journal = {Physical Review E}, |
1568 |
year = 2000, |
1569 |
volume = 61, |
1570 |
number = 5, |
1571 |
pages = {5668-5677} |
1572 |
} |
1573 |
|
1574 |
@Article{sengupta00, |
1575 |
author = {K. Sengupta and V.~A. Raghunathan and J. Katsaras}, |
1576 |
title = {Novel structural Features of the ripple phase of phospholipids}, |
1577 |
journal = {Europhysics Letters}, |
1578 |
year = 2000, |
1579 |
volume = 49, |
1580 |
number = 6, |
1581 |
pages = {722-728} |
1582 |
} |
1583 |
|
1584 |
@Article{venable00, |
1585 |
author = {R.~M. Venable and B.~R. Brooks and R.~W. Pastor}, |
1586 |
title = {Molecular dynamics simulations of gel ($L_{\beta I}$) phase lipid bilayers in constant pressure and constant surface area ensembles}, |
1587 |
journal = jcp, |
1588 |
year = 2000, |
1589 |
volume = 112, |
1590 |
number = 10, |
1591 |
pages = {4822-4832} |
1592 |
} |
1593 |
|
1594 |
@Article{lindahl00, |
1595 |
author = {E. Lindahl and O. Edholm}, |
1596 |
title = {Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations}, |
1597 |
journal = {Biophysical Journal}, |
1598 |
year = 2000, |
1599 |
volume = 79, |
1600 |
pages = {426-433}, |
1601 |
month = {July} |
1602 |
} |
1603 |
|
1604 |
|
1605 |
@Article{saiz02, |
1606 |
author = {L. Saiz and M. Klein}, |
1607 |
title = {Electrostatic interactions in a neutral model phospholipid bilayer by molecular dynamics simulations}, |
1608 |
journal = jcp, |
1609 |
year = 2002, |
1610 |
volume = 116, |
1611 |
number = 7, |
1612 |
pages = {3052-3057} |
1613 |
} |
1614 |
|
1615 |
@Article{stevens95, |
1616 |
author = {M.~J. Stevens and G.~S. Grest}, |
1617 |
title = {Phase coexistence of a Stockmayer fluid in an aplied field}, |
1618 |
journal = {Physical Review E}, |
1619 |
year = 1995, |
1620 |
volume = 51, |
1621 |
number = 6, |
1622 |
pages = {5976-5983} |
1623 |
} |
1624 |
|
1625 |
@Article{darden93:pme, |
1626 |
author = {T. Darden and D. York and L. Pedersen}, |
1627 |
title = {Particle mesh Ewald: An $N \log N$ method for Ewald sums in large systems}, |
1628 |
journal = {Journal of Chemical Physics}, |
1629 |
year = 1993, |
1630 |
volume = 98, |
1631 |
number = 12, |
1632 |
pages = {10089-10092} |
1633 |
} |
1634 |
|
1635 |
|
1636 |
|
1637 |
@Article{goetz98, |
1638 |
author = {R. Goetz and R. Lipowsky}, |
1639 |
title = {Computer simulations of bilayer membranes: Self-assembly and interfacial tension}, |
1640 |
journal = {Journal of Chemical Physics}, |
1641 |
year = 1998, |
1642 |
volume = 108, |
1643 |
number = 17, |
1644 |
pages = 7397 |
1645 |
} |
1646 |
|
1647 |
@Article{marrink01:undulation, |
1648 |
author = {S.~J. Marrink and A.~E. Mark}, |
1649 |
title = {Effect of undulations on surface tension in simulated bilayers}, |
1650 |
journal = {Journal of Physical Chemistry B}, |
1651 |
year = 2001, |
1652 |
volume = 105, |
1653 |
pages = {6122-6127} |
1654 |
} |
1655 |
|
1656 |
@Article{lindahl00:undulation, |
1657 |
author = {E. Lindahl and O. Edholm}, |
1658 |
title = {Mesoscopic undulation and thickness fluctuations in lipid bilayers from molecular dynamics simulation}, |
1659 |
journal = {Biophysical Journal}, |
1660 |
year = 2000, |
1661 |
volume = 79, |
1662 |
pages = {426-433} |
1663 |
} |
1664 |
|
1665 |
@Article{metropolis:1949, |
1666 |
author = {N. Metropolis and S. Ulam}, |
1667 |
title = {The $\mbox{Monte Carlo}$ Method}, |
1668 |
journal = {J. Am. Stat. Ass.}, |
1669 |
year = 1949, |
1670 |
volume = 44, |
1671 |
pages = {335-341} |
1672 |
} |
1673 |
|
1674 |
@Article{metropolis:1953, |
1675 |
author = {N. Metropolis and A.~W. Rosenbluth and M.~N. Rosenbluth and A.~H. Teller and E. Teller}, |
1676 |
title = {Equation of State Calculations by Fast Computing Machines}, |
1677 |
journal = {J. Chem. Phys.}, |
1678 |
year = 1953, |
1679 |
volume = 21, |
1680 |
pages = {1087-1092} |
1681 |
} |
1682 |
|
1683 |
@Article{born:1912, |
1684 |
author = {M. Born and Th. Von~Karman}, |
1685 |
title = {Uber Schwingungen in Raumgittern}, |
1686 |
journal = {Physik Z.}, |
1687 |
year = 1912, |
1688 |
volume = 13, |
1689 |
number = {297-309} |
1690 |
} |
1691 |
|
1692 |
@Book{chandler:1987, |
1693 |
author = {David Chandler}, |
1694 |
title = {Introduction to Modern Statistical Mechanics}, |
1695 |
publisher = {Oxford University Press}, |
1696 |
year = 1987 |
1697 |
} |
1698 |
|
1699 |
|
1700 |
@Article{pearlman:1995, |
1701 |
author = {David~A. Pearlman and David~A. Case and James~W. Caldwell and Wilson~S. Ross and Thomas~E. Cheatham~III and Steve DeBolt and David Ferguson and George Seibel and Peter Kollman}, |
1702 |
title = {{\sc amber}, a package of computer programs for applying molecular mechanics. normal mode analysis, molecular dynamics, and free energy calculations to simulate the structural and energetic properties of molecules}, |
1703 |
journal = {Computer Physics Communications}, |
1704 |
year = 1995, |
1705 |
volume = 91, |
1706 |
pages = {1-41} |
1707 |
} |
1708 |
|
1709 |
@Book{Goldstein01, |
1710 |
author = {H. Goldstein and C. Poole and J. Safko}, |
1711 |
title = {Classical Mechanics}, |
1712 |
publisher = {Addison Wesley}, |
1713 |
year = 2001, |
1714 |
address = {San Francisco}, |
1715 |
edition = {3rd} |
1716 |
} |
1717 |
|
1718 |
@Article{Bratko85, |
1719 |
author = {D. Bratko and L. Blum and A. Luzar}, |
1720 |
title = {A simple model for the intermolecular potential of water}, |
1721 |
journal = jcp, |
1722 |
year = 1985, |
1723 |
volume = 83, |
1724 |
number = 12, |
1725 |
pages = {6367-6370} |
1726 |
} |
1727 |
|
1728 |
@Article{Bratko95, |
1729 |
author = {L. Blum and F. Vericat and D. Bratko}, |
1730 |
title = {Towards an analytical model of water: The octupolar model}, |
1731 |
journal = jcp, |
1732 |
year = 1995, |
1733 |
volume = 102, |
1734 |
number = 3, |
1735 |
pages = {1461-1462} |
1736 |
} |
1737 |
|
1738 |
@Article{Tan03, |
1739 |
author = {M.-L. Tan and J.~T. Fischer and A. Chandra and B.~R. Brooks |
1740 |
and T. Ichiye}, |
1741 |
title = {A temperature of maximum density in soft sticky dipole |
1742 |
water}, |
1743 |
journal = cpl, |
1744 |
year = 2003, |
1745 |
volume = 376, |
1746 |
pages = {646-652}, |
1747 |
} |
1748 |
|
1749 |
|
1750 |
@Article{Soper86, |
1751 |
author = {A.~K. Soper and M.~G. Phillips}, |
1752 |
title = {A new determination of the structure of water at 298K}, |
1753 |
journal = cp, |
1754 |
year = 1986, |
1755 |
volume = 107, |
1756 |
number = 1, |
1757 |
pages = {47-60}, |
1758 |
} |
1759 |
|
1760 |
@Article{plimpton95, |
1761 |
author = {S. Plimpton}, |
1762 |
title = {Fast Parallel Algorithms for Short-Range Molecular Dymanics}, |
1763 |
journal = {J. Comp. Phys.}, |
1764 |
year = 1995, |
1765 |
volume = 117, |
1766 |
pages = {1-19}, |
1767 |
} |
1768 |
|
1769 |
|
1770 |
@Article{Ercolessi02, |
1771 |
author = {U. Tartaglino and E. Tosatti and D. Passerone and F. Ercolessi}, |
1772 |
title = {Bending strain-driven modification of surface resconstructions: Au(111)}, |
1773 |
journal = prb, |
1774 |
year = 2002, |
1775 |
volume = 65, |
1776 |
pages = 241406 |
1777 |
} |
1778 |
|
1779 |
@Article{Ercolessi88, |
1780 |
author = {F. Ercolessi and M. Parrinello and E. Tosatti}, |
1781 |
title = {Simulation of Gold in the Glue Model.}, |
1782 |
journal = {Philosophical Magazine A}, |
1783 |
year = 1988, |
1784 |
volume = 58, |
1785 |
pages = {213-226} |
1786 |
} |
1787 |
|
1788 |
@Article{Finnis84, |
1789 |
author = {M.~W Finnis and J.~E. Sinclair }, |
1790 |
title = {A Simple Empirical N-Body Potential for Transition-Metals}, |
1791 |
journal = {Phil. Mag. A}, |
1792 |
year = 1984, |
1793 |
volume = 50, |
1794 |
pages = {45-55} |
1795 |
} |
1796 |
|
1797 |
@Article{FBD86, |
1798 |
author = {S.~M. Foiles and M.~I. Baskes and M.~S. Daw}, |
1799 |
title = {Embedded-atom-method functions for the fcc metals |
1800 |
$\mbox{Cu, Ag, Au, Ni, Pd, Pt}$, and their alloys}, |
1801 |
journal = prb, |
1802 |
year = 1986, |
1803 |
volume = 33, |
1804 |
number = 12, |
1805 |
pages = 7983 |
1806 |
} |
1807 |
|
1808 |
@Article{EAM93, |
1809 |
author = {M.~S. Daw and S.~M. Foiles and M.~I. Baskes}, |
1810 |
title = {The embededd-atom method}, |
1811 |
journal = {Mat. Sci. Rep.}, |
1812 |
year = 1993, |
1813 |
volume = 9, |
1814 |
pages = {251-310} |
1815 |
} |
1816 |
|
1817 |
@Article{johnson89, |
1818 |
author = {R.~A. Johnson}, |
1819 |
title = {Alloy models with the embedded-atom method}, |
1820 |
journal = prb, |
1821 |
year = 1989, |
1822 |
volume = 39, |
1823 |
number = 17, |
1824 |
pages = 12554 |
1825 |
} |
1826 |
|
1827 |
@Article{Laird97, |
1828 |
author = {A. Kol and B.~B. Laird and B.~J. Leimkuhler}, |
1829 |
title = {A symplectic method for rigid-body molecular simulation}, |
1830 |
journal = jcp, |
1831 |
year = 1997, |
1832 |
volume = 107, |
1833 |
number = 7, |
1834 |
pages = {2580-2588} |
1835 |
} |
1836 |
|
1837 |
|
1838 |
@Article{hoover85, |
1839 |
author = {W.~G. Hoover}, |
1840 |
title = {Canonical dynamics: Equilibrium phase-space distributions}, |
1841 |
journal = pra, |
1842 |
year = 1985, |
1843 |
volume = 31, |
1844 |
pages = 1695 |
1845 |
} |
1846 |
|
1847 |
@Article{Roux91, |
1848 |
author = {B. Roux and M. Karplus}, |
1849 |
title = {Ion transport in a Gramicidin-like channel: dynamics and mobility}, |
1850 |
journal = jpc, |
1851 |
year = 1991, |
1852 |
volume = 95, |
1853 |
number = 15, |
1854 |
pages = {4856-4868} |
1855 |
} |
1856 |
|
1857 |
|
1858 |
@Article{Marrink94, |
1859 |
author = {S.~J Marrink and H.~J.~C. Berendsen}, |
1860 |
title = {Simulation of water transport through a lipid membrane}, |
1861 |
journal = jpc, |
1862 |
year = 1994, |
1863 |
volume = 98, |
1864 |
number = 15, |
1865 |
pages = {4155-4168} |
1866 |
} |
1867 |
|
1868 |
|
1869 |
@Article{Daw89, |
1870 |
author = {Murray~S. Daw}, |
1871 |
title = {Model of metallic cohesion: The embedded-atom method}, |
1872 |
journal = {Physical Review B}, |
1873 |
year = 1989, |
1874 |
volume = 39, |
1875 |
pages = {7441-7452} |
1876 |
} |
1877 |
|
1878 |
@InBook{voter, |
1879 |
author = {A.~F. Voter}, |
1880 |
editor = {J.~H. Westbrook and R.~L. Fleischer}, |
1881 |
title = {Intermetallic Compounds: Principles and Practice}, |
1882 |
chapter = 4, |
1883 |
publisher = {John Wiley and Sons Ltd}, |
1884 |
address = {}, |
1885 |
year = 1995, |
1886 |
volume = 1, |
1887 |
pages = 77 |
1888 |
} |
1889 |
|
1890 |
|
1891 |
@Article{marrink:2002, |
1892 |
author = {S.~J. Marrink and D.~P. Teileman}, |
1893 |
title = {Molecular Dynamics Simulation of Spontaneous Membrane Fusion during a Cubic-Hexagonal Phase Transition}, |
1894 |
journal = {Biophysical Journal}, |
1895 |
year = 2002, |
1896 |
volume = 83, |
1897 |
pages = {2386-2392} |
1898 |
} |
1899 |
|
1900 |
@Article{sum:2003, |
1901 |
author = {A.~K. Sum and J.~J. de~Pablo}, |
1902 |
title = {Molecular Simulation Study on the influence of Dimethylsulfoxide on the structure of Phospholipid Bilayers}, |
1903 |
journal = {Biophysical Journal}, |
1904 |
year = 2003, |
1905 |
volume = 85, |
1906 |
pages = {3636-3645} |
1907 |
} |
1908 |
|
1909 |
@Article{gomez:2003, |
1910 |
author = {J.~D. Faraldo-Gomez and G.~R. Smith and M.~S.P. Sansom}, |
1911 |
title = {Setting up and optimization of membrane protein simulations}, |
1912 |
journal = {Eur. Biophys. J.}, |
1913 |
year = 2002, |
1914 |
volume = 31, |
1915 |
pages = {217-227} |
1916 |
} |
1917 |
|
1918 |
|
1919 |
@Article{smondyrev:1999, |
1920 |
author = {A.~M. Smondyrev and M.~L. Berkowitz}, |
1921 |
title = {Molecular Dynamics Simulation of {\sc dppc} Bilayer in {\sc dmso}}, |
1922 |
journal = {Biophysical Journal}, |
1923 |
year = 1999, |
1924 |
volume = 76, |
1925 |
pages = {2472-2478} |
1926 |
} |
1927 |
|
1928 |
@Article{nina:2002, |
1929 |
author = {M. Nina and T. Simonson}, |
1930 |
title = {Molecular Dynamics of the $\text{tRNA}^{\text{Ala}}$ Acceptor Stem: Comparison between Continuum Reaction Field and Particle-Mesh Ewald Electrostatic Treatments}, |
1931 |
journal = {J. Phys. Chem. B}, |
1932 |
year = 2002, |
1933 |
volume = 106, |
1934 |
pages = {3696-3705} |
1935 |
} |
1936 |
|
1937 |
@Article{norberg:2000, |
1938 |
author = {J. Norberg and L. Nilsson}, |
1939 |
title = {On the truncation of Long-Range Electrostatic Interactions in {\sc dna}}, |
1940 |
journal = {Biophysical Journal}, |
1941 |
year = 2000, |
1942 |
volume = 79, |
1943 |
pages = {1537-1553} |
1944 |
} |
1945 |
|
1946 |
@Article{patra:2003, |
1947 |
author = {M. Patra and M. Karttunen and M.~T. Hyv\"{o}nen and E. Falk and P. Lindqvist and I. Vattulainen}, |
1948 |
title = {Molecular Dynamics Simulations of Lipid Bilayers: Major Artifacts Due to Truncating Electrostatic Interactions}, |
1949 |
journal = {Biophysical Journal}, |
1950 |
year = 2003, |
1951 |
volume = 84, |
1952 |
pages = {3636-3645} |
1953 |
} |
1954 |
|
1955 |
@Article{marrink04, |
1956 |
author = {S.~J. Marrink and A.~H. de~Vries and A.~E. Mark}, |
1957 |
title = {Coarse Grained Model for Semiquantitative Lipid Simulations}, |
1958 |
journal = {J. Phys. Chem. B}, |
1959 |
year = 2004, |
1960 |
volume = 108, |
1961 |
pages = {750-760} |
1962 |
} |
1963 |
|
1964 |
@Article{andersen83, |
1965 |
author = {H.~C. Andersen}, |
1966 |
title = {{\sc rattle}: A Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations}, |
1967 |
journal = {Journal of Computational Physics}, |
1968 |
year = 1983, |
1969 |
volume = 52, |
1970 |
pages = {24-34} |
1971 |
} |
1972 |
|
1973 |
@Article{hura00, |
1974 |
author = {G. Hura and J.~M. Sorenson and R.~M. Glaeser and T. Head-Gordon}, |
1975 |
title = {A high-quality x-ray scattering experiment on liquid water at ambient conditions}, |
1976 |
journal = {J. Chem. Phys.}, |
1977 |
year = 2000, |
1978 |
volume = 113, |
1979 |
pages = {9140-9148} |
1980 |
} |
1981 |
|
1982 |
|
1983 |
@Article{ryckaert77, |
1984 |
author = {J.~P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen}, |
1985 |
title = {Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes}, |
1986 |
journal = {Journal of Computational Physics}, |
1987 |
year = 1977, |
1988 |
volume = 23, |
1989 |
pages = {327-341} |
1990 |
} |
1991 |
|
1992 |
|
1993 |
@InBook{fowles99:lagrange, |
1994 |
author = {G.~R. Fowles and G.~L. Cassiday}, |
1995 |
title = {Analytical Mechanics}, |
1996 |
chapter = 10, |
1997 |
publisher = {Saunders College Publishing}, |
1998 |
address = {}, |
1999 |
year = 1999, |
2000 |
edition = {6th} |
2001 |
} |
2002 |
|
2003 |
@Article{petrache00, |
2004 |
author = {H.~I. Petrache and S.~W. Dodd and M.~F. Brown}, |
2005 |
title = {Area per Lipid and Acyl Length Distributions in Fluid Phosphatidylcholines Determined by $^2\text{H}$ {\sc nmr} Spectroscopy}, |
2006 |
journal = {Biophysical Journal}, |
2007 |
year = 2000, |
2008 |
volume = 79, |
2009 |
pages = {3172-3192} |
2010 |
} |
2011 |
|
2012 |
@Article{egberts88, |
2013 |
author = {E. Egberts and H.~J.~C. Berendsen}, |
2014 |
title = {Molecular Dynamics Simulation of a smectic liquid crystal with atomic detail}, |
2015 |
journal = {J. Chem. Phys.}, |
2016 |
year = 1988, |
2017 |
volume = 89, |
2018 |
pages = {3718-3732} |
2019 |
} |
2020 |
|
2021 |
@Article{Holz00, |
2022 |
author = {M. Holz and S.~R. Heil and A. Sacco}, |
2023 |
title = {Temperature-dependent self-diffusion coefficients of |
2024 |
water and six selected molecular liquids for calibration |
2025 |
in accurate $^1${\sc h} {\sc nmr pfg} measurements}, |
2026 |
journal = {Phys. Chem. Chem. Phys.}, |
2027 |
year = 2000, |
2028 |
volume = 2, |
2029 |
pages = {4740-4742}, |
2030 |
} |
2031 |
|
2032 |
@InCollection{zannoni94, |
2033 |
author = {C. Zannoni}, |
2034 |
title = {An introduction to the molecular dynamics method and to orientational dynamics in liquid crystals}, |
2035 |
booktitle = {The Molecular Dynamics of Liquid Crstals}, |
2036 |
pages = {139-169}, |
2037 |
publisher = {Kluwer Academic Publishers}, |
2038 |
year = 1994, |
2039 |
editor = {G.~R. Luckhurst and C.~A. Veracini}, |
2040 |
chapter = 6 |
2041 |
} |
2042 |
|
2043 |
|
2044 |
@Article{melchionna93, |
2045 |
author = {S. Melchionna and G. Ciccotti and B.~L. Holian}, |
2046 |
title = {Hoover {\sc npt} dynamics for systems varying in shape and size}, |
2047 |
journal = {Molecular Physics}, |
2048 |
year = 1993, |
2049 |
volume = 78, |
2050 |
pages = {533-544} |
2051 |
} |
2052 |
|
2053 |
|
2054 |
|
2055 |
@Article{Fennell04, |
2056 |
author = {C.~J. Fennell and J.~D. Gezelter}, |
2057 |
title = {On the structural and transport properties of the soft sticky dipole(SSD) and related single point water models}, |
2058 |
journal = jcp, |
2059 |
year = 2004, |
2060 |
volume = 120, |
2061 |
number = 19, |
2062 |
pages = {9175-9184} |
2063 |
} |
2064 |
|
2065 |
@Article{klein01, |
2066 |
author = {J.~C. Shelley andf M.~Y. Shelley and R.~C. Reeder and S. Bandyopadhyay and M.~L. Klein}, |
2067 |
title = {A coarse Grain Model for Phospholipid Simulations}, |
2068 |
journal = {J. Phys. Chem. B}, |
2069 |
year = 2001, |
2070 |
volume = 105, |
2071 |
pages = {4464-4470} |
2072 |
} |
2073 |
|
2074 |
|
2075 |
@Article{marrink03:vesicles, |
2076 |
author = {S.~J. Marrink and A.~E. Mark}, |
2077 |
title = {Molecular Dynaimcs Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles}, |
2078 |
journal = {J. Am. Chem. Soc.}, |
2079 |
year = 2003, |
2080 |
volume = 125, |
2081 |
pages = {15233-15242} |
2082 |
} |
2083 |
|
2084 |
@Article{FletcherReeves, |
2085 |
author = {R. Fletcher and C.~M. Reeves}, |
2086 |
title = {Function minimization by conjugate gradients}, |
2087 |
journal = {Comput. J.}, |
2088 |
year = 1964, |
2089 |
volume = 7, |
2090 |
number = 2, |
2091 |
pages = {149-154} |
2092 |
} |
2093 |
|
2094 |
@Article{PolakRibiere, |
2095 |
author = {E. Polak and G. Ribiere}, |
2096 |
title = {Note sur la convergence de methodes de directions conjugees}, |
2097 |
journal = {Rev. Fr. Inform. Rech. Oper.}, |
2098 |
year = 1969, |
2099 |
volume = {16-R1}, |
2100 |
pages = {35-43} |
2101 |
} |
2102 |
|
2103 |
@article{Voter:87, |
2104 |
Author = {A.F. Voter and S.P. Chen}, |
2105 |
Journal = {Mat. Res. Soc. Symp. Proc.}, |
2106 |
Pages = {175}, |
2107 |
Title = {Accurate Interatomic Potentials for Ni, Al, and Ni3Al}, |
2108 |
Volume = {82}, |
2109 |
Year = {1987}} |
2110 |
|
2111 |
@article{Hendrickson:95, |
2112 |
Author = {Bruce Hendrickson and Steve Plimpton}, |
2113 |
Journal = {Journal of Parallel and Distributed Computing}, |
2114 |
Pages = {15-25}, |
2115 |
Title = {Parallel Many-body Simulations without All-to-All Communication}, |
2116 |
Volume = {27}, |
2117 |
Year = {1995}} |
2118 |
|
2119 |
|
2120 |
|
2121 |
@InProceedings{Paradyn, |
2122 |
author = {S.~J. Plimpton and B.~A. Hendrickson}, |
2123 |
title = {Parallel Molecular Dynamics With the Embedded Atom Method}, |
2124 |
booktitle = {Materials Theory and Modelling}, |
2125 |
pages = 37, |
2126 |
year = 1993, |
2127 |
editor = {J. Broughton and P. Bristowe and J. Newsam}, |
2128 |
volume = 291, |
2129 |
series = {MRS Proceedings}, |
2130 |
address = {Pittsburgh, PA}, |
2131 |
publisher = {Materials Research Society} |
2132 |
} |
2133 |
|
2134 |
@article{Voter:95, |
2135 |
Author = {A.F. Voter}, |
2136 |
Journal = {Intermetallic Compounds: Principles and Practice}, |
2137 |
Pages = {77}, |
2138 |
Title = {The Embedded-Atom Method}, |
2139 |
Volume = {1}, |
2140 |
Year = {1995}} |
2141 |
|
2142 |
@article{Heller:90, |
2143 |
Author = {H. Heller and H. Grubmuller and K. Schulten}, |
2144 |
Journal = {Molecular Simulation}, |
2145 |
Pages = {133}, |
2146 |
Title = {Molecular dynamics simulation on a parallel computer}, |
2147 |
Volume = {5}, |
2148 |
Year = {1990}} |
2149 |
|
2150 |
@Book{Fox88, |
2151 |
author = {G.~C. Fox and M.~A. Johnson and G.~A Lyzenga and S.~W. Otto and J.~K. Salmon and D.~W. Walker}, |
2152 |
title = {Solving Promblems on Concurrent Processors}, |
2153 |
publisher = {Prentice-Hall}, |
2154 |
year = 1988, |
2155 |
volume = {I}, |
2156 |
address = {Englewood Cliffs, NJ} |
2157 |
} |
2158 |
|
2159 |
@Article{Gromacs, |
2160 |
author = {H.~J.~C. Berendsen, D. van~der~Spoel and R. van~Drunen}, |
2161 |
title = {GROMACS: A message-passing parallel molecular dynamics implementation}, |
2162 |
journal = {Comp. Phys. Comm.}, |
2163 |
year = 1995, |
2164 |
volume = 91, |
2165 |
pages = {43-56} |
2166 |
} |
2167 |
|
2168 |
@Article{Gromacs3, |
2169 |
author = {E. Lindahl and B. Hess and D. van~der~Spoel}, |
2170 |
title = {GROMACS 3.0: A package for molecular simulation and trajectory analysis}, |
2171 |
journal = {J. Mol. Mod.}, |
2172 |
year = 2001, |
2173 |
volume = 7, |
2174 |
pages = {306-317} |
2175 |
} |
2176 |
|
2177 |
@Article{DL_POLY, |
2178 |
author = {W. Smith and T. Forester}, |
2179 |
title = {DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package }, |
2180 |
journal = {J. Molec. Graphics.}, |
2181 |
year = 1996, |
2182 |
volume = 14, |
2183 |
number = 3, |
2184 |
pages = {136-141} |
2185 |
} |
2186 |
|
2187 |
@Article{Tinker, |
2188 |
author = {J.~W. Ponder and F.~M. Richards}, |
2189 |
title = {AN EFFICIENT NEWTON-LIKE METHOD FOR MOLECULAR MECHANICS ENERGY MINIMIZATION OF LARGE MOLECULES}, |
2190 |
journal = {J. Comp. Chem.}, |
2191 |
year = 1987, |
2192 |
volume = 8, |
2193 |
number = 7, |
2194 |
pages = {1016-1024} |
2195 |
} |
2196 |
|
2197 |
@Article{Berendsen87, |
2198 |
author = {H.~J.~C. Berendsen and J.~R. Grigera and T.~P. Straatsma}, |
2199 |
title = {The Missing Term in Effective Pair Potentials}, |
2200 |
journal = jpc, |
2201 |
year = 1987, |
2202 |
volume = 91, |
2203 |
pages = {6269-6271} |
2204 |
} |
2205 |
|
2206 |
@InCollection{Berendsen81, |
2207 |
author = {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans}, |
2208 |
title = {Simple Point Charge Water}, |
2209 |
booktitle = {Intermolecular Forces}, |
2210 |
pages = 331, |
2211 |
publisher = {Reidel}, |
2212 |
year = 1981, |
2213 |
editor = {B. Pullman}, |
2214 |
address = {Dordrecht} |
2215 |
} |
2216 |
|
2217 |
|
2218 |
@Article{Mahoney00, |
2219 |
author = {M.~W. Mahoney and W.~L. Jorgensen}, |
2220 |
title = {A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions}, |
2221 |
journal = jcp, |
2222 |
year = 2000, |
2223 |
volume = 112, |
2224 |
number = 20, |
2225 |
pages = {8910-8922} |
2226 |
} |
2227 |
|
2228 |
|
2229 |
@Article{Meineke05, |
2230 |
author = {M.~A. Meineke and C.~F. Vardeman~II and T. Lin and C.~J. Fennell and J.~D. Gezelter}, |
2231 |
title = {OOPSE: An Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics}, |
2232 |
journal = {J. Comp. Chem.}, |
2233 |
year = {in press 2005} |
2234 |
} |
2235 |
|
2236 |
@Article{Baez95a, |
2237 |
author = {L.~A. B\`{a}ez and P. Clancy}, |
2238 |
title = {Calculation of free energy for molecular crystals by thermodynamic integration}, |
2239 |
journal = mp, |
2240 |
year = 1995, |
2241 |
volume = 86, |
2242 |
number = 3, |
2243 |
pages = {385-396} |
2244 |
} |
2245 |
|
2246 |
@Article{Baez95b, |
2247 |
author = {L.~A. B\`{a}ez and P. Clancy}, |
2248 |
title = {Phase equilibria in extended simple point charge ice-water systems}, |
2249 |
journal = jcp, |
2250 |
year = 1995, |
2251 |
volume = 103, |
2252 |
number = 22, |
2253 |
pages = {9744-9755} |
2254 |
} |
2255 |
|
2256 |
@Article{Davidson84, |
2257 |
author = {E.~R. Davidson and K. Morokuma}, |
2258 |
title = {A proposed antiferroelectric structure for proton ordered ice Ih}, |
2259 |
journal = jcp, |
2260 |
year = 1984, |
2261 |
volume = 81, |
2262 |
number = 8, |
2263 |
pages = {3741-3742} |
2264 |
} |
2265 |
|
2266 |
@Article{Sanz04, |
2267 |
author = {E. Sanz and C. Vega and J.~L.~F. Abascal and L.~G. MacDowell}, |
2268 |
title = {Phase Diagram of Water from Computer Simulation}, |
2269 |
journal = prl, |
2270 |
year = 2004, |
2271 |
volume = 92, |
2272 |
number = 25, |
2273 |
pages = 255701 |
2274 |
} |
2275 |
|
2276 |
@Article{Onsager36, |
2277 |
author = {L. Onsager}, |
2278 |
title = {Electric Moments of Molecules in Liquids}, |
2279 |
journal = jacs, |
2280 |
year = 1936, |
2281 |
volume = 58, |
2282 |
pages = {1486-1493} |
2283 |
} |
2284 |
|
2285 |
@Article{Matsumoto02, |
2286 |
author = {M. Matsumoto and S. Saito and I. Ohimine}, |
2287 |
title = {Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing}, |
2288 |
journal = {Nature (London)}, |
2289 |
year = 2002, |
2290 |
volume = 416, |
2291 |
pages = {409-413}, |
2292 |
} |
2293 |
|
2294 |
@Article{Yamada02, |
2295 |
author = {M. Yamada and S. Mossa and H.~E. Stanley and F. Sciortino}, |
2296 |
title = {Interplay between Time-Temperature Transformation and the Liquid-Liquid Phase Transition in Water}, |
2297 |
journal = prl, |
2298 |
year = 2002, |
2299 |
volume = 88, |
2300 |
number = 19, |
2301 |
pages = 195701, |
2302 |
} |
2303 |
|
2304 |
@Article{Wallqvist95, |
2305 |
author = {A. Wallqvist and B.~J. Berne}, |
2306 |
title = {Molecular Dynamics Study of the Dependence of Water Solvation Free Energy on Solute Curvature and Surface Area}, |
2307 |
journal = jpc, |
2308 |
year = 1995, |
2309 |
volume = 99, |
2310 |
pages = {2885-2892} |
2311 |
} |
2312 |
|
2313 |
@Article{Vlot99, |
2314 |
author = {M.~J. Vlot and J. Huinink and J.~P. van~der~Eerden}, |
2315 |
title = {Free energy calculations on systems of rigid molecules: An application to the TIP4P model of H$_2$O}, |
2316 |
journal = jcp, |
2317 |
year = 1999, |
2318 |
volume = 110, |
2319 |
number = 1, |
2320 |
pages = {55-61} |
2321 |
} |
2322 |
|
2323 |
@Article{Gao00, |
2324 |
author = {G.~T. Gao and X.~C. Zeng and H. Tanaka}, |
2325 |
title = {The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water}, |
2326 |
journal = jcp, |
2327 |
year = 2000, |
2328 |
volume = 112, |
2329 |
number = 19, |
2330 |
pages = {8534-8538} |
2331 |
} |
2332 |
|