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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 @string{jcc = "J. Comput. Chem."}
18 @string{pccp = "Phys. Chem. Chem. Phys."}
19
20 @Book{Berne90,
21 author = {B.~J. Berne and R. Pecora},
22 title = {Dynamic Light Scattering},
23 publisher = {Robert E. Krieger Publishing Company, Inc.},
24 year = 1990,
25 address = {Malabar, Florida}
26 }
27
28 @Article{Evans77,
29 author = {D.~J. Evans},
30 title = {On the representation of orientation space},
31 journal = {Mol. Phys.},
32 year = 1977,
33 volume = 34,
34 pages = {317-325}
35 }
36
37 @Article{Tuckerman92,
38 author = {M. Tuckerman and B.~J. Berne and G.~J. Martyna},
39 title = {Reversible multiple time scale molecular dynamics},
40 journal = jcp,
41 year = 1992,
42 volume = 97,
43 pages = {1990-2001}
44 }
45
46 @Book{Hansen86,
47 author = {J.~P. Hansen and I.~R. McDonald},
48 title = {Theory of Simple Liquids},
49 chapter = 7,
50 publisher = {Academic Press},
51 year = 1986,
52 address = {London},
53 pages = {199-206}
54 }
55
56 @Article{Angelani98,
57 author = {L. Angelani and G. Parisi and G. Ruocco and G. Viliani},
58 title = {Connected Network of Minima as a Model Glass: Long
59 Time Dynamics},
60 journal = prl,
61 year = 1998,
62 volume = 81,
63 number = 21,
64 pages = {4648-4651}
65 }
66
67 @Article{Stillinger82,
68 author = {F.~H. Stillinger and T.~A. Weber},
69 title = {Hidden structure in liquids},
70 journal = pra,
71 year = 1982,
72 volume = 25,
73 number = 2,
74 pages = {978-989}
75 }
76
77 @Article{Stillinger83,
78 author = {F.~H. Stillinger and T.~A. Weber},
79 title = {Dynamics of structural transitions in liquids},
80 journal = pra,
81 year = 1983,
82 volume = 28,
83 number = 4,
84 pages = {2408-2416}
85 }
86
87 @Article{Weber84,
88 author = {T.~A. Weber and F.~H. Stillinger},
89 title = {The effect of density on the inherent structure in
90 liquids},
91 journal = jcp,
92 year = 1984,
93 volume = 80,
94 number = 6,
95 pages = {2742-2746}
96 }
97
98 @Article{Stillinger85,
99 author = {F.~H. Stillinger and T.~A. Weber},
100 title = {Inherent structure theory of liquids in the
101 hard-sphere limit},
102 journal = jcp,
103 year = 1985,
104 volume = 83,
105 number = 9,
106 pages = {4767-4775}
107 }
108
109 @Article{Stillinger98,
110 author = {S. Sastry and P.~G. Debenedetti and F.~H. Stillinger},
111 title = {Signatures of distinct dynamical regimes in the
112 energy landscape of a glass-forming liquid},
113 journal = {Nature},
114 year = 1998,
115 volume = 393,
116 pages = {554-557}
117 }
118
119
120 @Article{Parkhurst75a,
121 author = {H.~J. {Parkhurst, Jr.} and J. Jonas},
122 title = {Dense liquids. I. The effect of density and
123 temperature on viscosity of tetramethylsilane and
124 benzene-$\mbox{D}_6$},
125 journal = jcp,
126 year = 1975,
127 volume = 63,
128 number = 6,
129 pages = {2698-2704}
130 }
131
132 @Article{Parkhurst75b,
133 author = {H.~J. {Parkhurst, Jr.} and J. Jonas},
134 title = {Dense liquids. II. The effect of density and
135 temperature on viscosity of tetramethylsilane and
136 benzene },
137 journal = jcp,
138 year = 1975,
139 volume = 63,
140 number = 6,
141 pages = {2705-2709}
142 }
143
144 @Article{Forester97,
145 author = {T.~R. Forester and W. Smith and J.~H.~R. Clarke},
146 title = {Antibiotic activity of valinomycin - Molecular
147 dynamics simulations involving the water/membrane
148 interface},
149 journal = {J. Chem. Soc. - Faraday Transactions},
150 year = 1997,
151 volume = 93,
152 pages = {613-619}
153 }
154
155 @Article{Tieleman98,
156 author = {D.~P. Tieleman and H.~J.~C. Berendsen},
157 title = {A molecular dynamics study of the pores formed by
158 Escherichia coli OmpF porin in a fully hydrated
159 palmitoyloleoylphosphatidylcholine bilayer},
160 journal = {Biophys. J.},
161 year = 1998,
162 volume = 74,
163 pages = {2786-2801}
164 }
165
166 @Article{Cascales98,
167 author = {J.~J.~L. Cascales and J.~G.~H. Cifre and J.~G. de~la~Torre},
168 title = {Anaesthetic mechanism on a model biological
169 membrane: A molecular dynamics simulation study},
170 journal = {J. Phys. Chem. B},
171 year = 1998,
172 volume = 102,
173 pages = {625-631}
174 }
175
176 @Article{Bassolino95,
177 author = {D. Bassolino and H.~E. Alper and T.~R. Stouch},
178 title = {MECHANISM OF SOLUTE DIFFUSION THROUGH LIPID
179 BILAYER-MEMBRANES BY MOLECULAR-DYNAMICS SIMULATION},
180 journal = {J. Am. Chem. Soc.},
181 year = 1995,
182 volume = 117,
183 pages = {4118-4129}
184 }
185
186 @Article{Alper95,
187 author = {H.~E. Alper and T.~R. Stouch},
188 title = {ORIENTATION AND DIFFUSION OF A DRUG ANALOG IN
189 BIOMEMBRANES - MOLECULAR-DYNAMICS SIMULATIONS},
190 journal = {J. Phys. Chem.},
191 year = 1995,
192 volume = 99,
193 pages = {5724-5731}
194 }
195
196 @Article{Sok92,
197 author = {R.~M. Sok and H.~J.~C. Berendsen and W.~F. van~Gunsteren},
198 title = {MOLECULAR-DYNAMICS SIMULATION OF THE TRANSPORT OF
199 SMALL MOLECULES ACROSS A POLYMER MEMBRANE},
200 journal = {J. Chem. Phys.},
201 year = 1992,
202 volume = 96,
203 pages = {4699-4704}
204 }
205
206 @Article{Rabani99,
207 author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
208 title = {Direct Observation of Stretched-Exponential
209 Relaxation in Low-Temperature Lennard-Jones Systems
210 Using the Cage Correlation Function},
211 journal = prl,
212 year = {1999},
213 volume = 82,
214 pages = {3649}
215 }
216
217 @Article{Rabani97,
218 author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
219 title = {Calculating the hopping rate for self-diffusion on
220 rough potential energy surfaces: Cage correlations},
221 journal = {J. Chem. Phys.},
222 year = 1997,
223 volume = 107,
224 pages = {6867-6876}
225 }
226
227 @Article{Gezelter99,
228 author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
229 title = {Methods for calculating the hopping rate for
230 orientational and spatial diffusion in a molecular
231 liquid: $\mbox{CS}_{2}$},
232 journal = jcp,
233 year = 1999,
234 volume = 110,
235 pages = 3444
236 }
237
238 @Article{Gezelter98a,
239 author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
240 title = {Response to 'Comment on a Critique of the
241 Instantaneous Normal Mode (INM) Approach to
242 Diffusion'},
243 journal = jcp,
244 year = 1998,
245 volume = 109,
246 pages = 4695
247 }
248
249 @Article{Gezelter97,
250 author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
251 title = {Can imaginary instantaneous normal mode frequencies
252 predict barriers to self-diffusion?},
253 journal = jcp,
254 year = 1997,
255 volume = 107,
256 pages = 4618
257 }
258
259 @Article{Zwanzig83,
260 author = {R. Zwanzig},
261 title = {On the relation between self-diffusion and viscosity
262 of liquids},
263 journal = jcp,
264 year = 1983,
265 volume = 79,
266 pages = {4507-4508}
267 }
268
269 @Article{Zwanzig88,
270 author = {R. Zwanzig},
271 title = {Diffusion in rough potential},
272 journal = {Proc. Natl. Acad. Sci. USA},
273 year = 1988,
274 volume = 85,
275 pages = 2029
276 }
277
278 @Article{Stillinger95,
279 author = {F.~H. Stillinger},
280 title = {A Topographic View of Supercooled Liquids and Glass
281 Formation},
282 journal = {Science},
283 year = 1995,
284 volume = 267,
285 pages = {1935-1939}
286 }
287
288 @InCollection{Angell85,
289 author = {C.~A. Angell},
290 title = {unknown},
291 booktitle = {Relaxations in Complex Systems},
292 publisher = {National Technical Information Service,
293 U.S. Department of Commerce},
294 year = 1985,
295 editor = {K.~Ngai and G.~B. Wright},
296 address = {Springfield, VA},
297 pages = 1
298 }
299
300 @Article{Bembenek96,
301 author = {S.~D. Bembenek and B.~B. Laird},
302 title = {The role of localization in glasses and supercooled liquids},
303 journal = jcp,
304 year = 1996,
305 volume = 104,
306 pages = 5199
307 }
308
309 @Article{Sun97,
310 author = {X. Sun and W.~H. Miller},
311 title = {Semiclassical initial value representation for
312 electronically nonadiabatic molecular dynamics},
313 journal = jcp,
314 year = 1997,
315 volume = 106,
316 pages = 6346
317 }
318
319 @Article{Spath96,
320 author = {B.~W. Spath and W.~H. Miller},
321 title = {SEMICLASSICAL CALCULATION OF CUMULATIVE REACTION
322 PROBABILITIES},
323 journal = jcp,
324 year = 1996,
325 volume = 104,
326 pages = 95
327 }
328
329 @Book{Warshel91,
330 author = {Arieh Warshel},
331 title = {Computer modeling of chemical reactions in enzymes
332 and solutions},
333 publisher = {Wiley},
334 year = 1991,
335 address = {New York}
336 }
337
338 @Article{Vuilleumier97,
339 author = {Rodolphe Vuilleumier and Daniel Borgis},
340 title = {Molecular Dynamics of an excess proton in water
341 using a non-additive valence bond force field},
342 journal = jpc,
343 year = 1997,
344 volume = {in press}
345 }
346
347 @Article{Kob95a,
348 author = {W. Kob and H.~C. Andersen},
349 title = {Testing mode-coupling theory for a supercooled
350 binary Lennard-Jones mixtures: The van Hove
351 corraltion function},
352 journal = pre,
353 year = 1995,
354 volume = 51,
355 pages = {4626-4641}
356 }
357
358 @Article{Kob95b,
359 author = {W. Kob and H.~C. Andersen},
360 title = {Testing mode-coupling theory for a supercooled
361 binary Lennard-Jones mixtures. II. Intermediate
362 scattering function and dynamic susceptibility},
363 journal = pre,
364 year = 1995,
365 volume = 52,
366 pages = {4134-4153}
367 }
368
369 @InProceedings{Gotze89,
370 author = "W. G{\"{o}}tze",
371 title = "Aspects of Structural Glass Transitions",
372 editor = "J.~P. Hansen and D. Levesque and J. Zinn-Justin",
373 volume = "I",
374 pages = "287-503",
375 booktitle = "Liquids, Freezing and Glass Transitions",
376 year = 1989,
377 publisher = "North-Holland",
378 address = "Amsterdam"
379 }
380
381 @Article{Sun97a,
382 author = "X. Sun and W.~H. Miller",
383 title = {Mixed semiclassical-classical approaches to the
384 dynamics of complex molecular systems},
385 journal = jcp,
386 year = 1997,
387 pages = 916
388 }
389
390 @Article{Keshavamurthy94,
391 author = "S. Keshavamurthy and W.~H. Miller",
392 title = "ivr",
393 journal = cpl,
394 year = 1994,
395 volume = 218,
396 pages = 189
397 }
398
399 @Article{Billing75,
400 author = "G.~D. Billing",
401 title = "ehrenfest",
402 journal = cpl,
403 year = 1975,
404 volume = 30,
405 pages = 391
406 }
407
408 @Article{Chang90,
409 author = {Y.-T. Chang and W.~H. Miller},
410 title = {An Empirical Valence Bond Model for Constructing
411 Global Potential Energy Surfaces for Chemical
412 Reactions of Polyatomic Molecular Systems},
413 journal = jpc,
414 year = 1990,
415 volume = 94,
416 pages = {5884-5888}
417 }
418
419 @Article{Shor94,
420 author = {P.W. Shor},
421 title = {Algorithms for quantum computation: discrete
422 logarithms and factoring},
423 journal = {Proceedings of the 35th Annual Symposium
424 on Foundations of Computer Science},
425 year = 1994,
426 pages = {124-134}
427 }
428
429 @Article{Feynman82,
430 author = {R.~P. Feynman},
431 title = {Simulating physics with computers},
432 journal = {Int. J. Theor. Phys.},
433 year = 1982,
434 volume = 21,
435 pages = {467-488}
436 }
437
438 @Article{Grover97,
439 author = {L.~K. Grover},
440 title = {Quantum computers can search arbitrarily large
441 databases by a single query},
442 journal = prl,
443 year = 1997,
444 volume = 79,
445 pages = {4709-4712}
446 }
447
448 @Article{Chuang98,
449 author = {I. Chuang and N. Gershenfeld and M. Kubinec},
450 title = {Experimental Implementation of Fast Quantum Searching},
451 journal = prl,
452 year = 1998,
453 volume = 80,
454 pages = {3408-3411}
455 }
456
457 @Article{Monroe95,
458 author = "C. Monroe and D.~M. Meekhof and B.~E. King and
459 W.~M. Itano and D.~J. Wineland",
460 title = {Demonstration of a fundamental quantum logic gate},
461 journal = prl,
462 year = 1995,
463 volume = 75,
464 pages = 4714
465 }
466
467 @Article{Lent93,
468 author = "C.~S. Lent and P.~D. Tougaw and W.~Porod and
469 G.~H. Bernstein",
470 title = {Quantum Cellular Automata},
471 journal = {Nanotechnology},
472 year = 1993,
473 volume = 4,
474 pages = {49-57}
475 }
476
477 @Article{Barenco95,
478 author = "A. Barenco and C.~H. Bennett and R. Cleve and
479 D.~P. DiVincenzo and N. Margolus and P. Shor and
480 T. Sleator and J.~A. Smolin and H. Weinfurter",
481 title = {elementary gates for quantum computation},
482 journal = {Phys. Rev. A},
483 year = 1995,
484 volume = 52,
485 pages = {3457-3467}
486 }
487
488 @Article{Small97,
489 author = {T. Reinot and J.~M. Hayes and G.~J. Small},
490 title = {Electronic dephasing and electron-phonon coupling of
491 aluminum phthalocyanine tetrasulphonate in
492 hyperquenched and annealed glassy films of ethanol
493 and methanol over a broad temperature range},
494 journal = jcp,
495 year = 1997,
496 volume = 106,
497 pages = {457-466}
498 }
499
500 @Article{Laflamme96,
501 author = {R. Laflamme and C. Miquel and J.~P. Paz and W.~H. Zurek},
502 title = {A perfect quantum error correcting code: 5 bit code
503 correcting a general 1 qubit error to encode 1 qubit
504 of information},
505 journal = prl,
506 year = 1996,
507 volume = 98,
508 pages = 77
509 }
510
511 @Article{Shor95,
512 author = {P.~W. Shor},
513 title = {SCHEME FOR REDUCING DECOHERENCE IN QUANTUM COMPUTER MEMORY},
514 journal = {Phys. Rev. A},
515 year = 1995,
516 volume = 52,
517 pages = {2493-2496}
518 }
519
520 @Article{Calderbank96,
521 author = {A.~R. Calderbank and P.~W. Shor},
522 title = {Good quantum error-correcting codes exist},
523 journal = {Phys. Rev. A},
524 year = 1996,
525 volume = 54,
526 pages = {1098-1105}
527 }
528
529 @Article{Steane96,
530 author = {A.~M. Steane},
531 title = {Error correcting codes in quantum theory},
532 journal = prl,
533 year = 1996,
534 volume = 77,
535 pages = {793-797}
536 }
537
538 @Article{Gezelter95,
539 author = {J.~D. Gezelter and W.~H. Miller},
540 title = {RESONANT FEATURES IN THE ENERGY-DEPENDENCE OF THE
541 RATE OF KETENE ISOMERIZATION},
542 journal = jcp,
543 year = 1995,
544 volume = 103,
545 pages = {7868-7876}
546 }
547
548 @Article{Chakrabarti92,
549 author = {A.~C. Chakrabarti and D.~W. Deamer},
550 title = {PERMEABILITY OF LIPID BILAYERS TO AMINO-ACIDS AND PHOSPHATE},
551 journal = {Biochimica et Biophysica Acta},
552 year = 1992,
553 volume = 1111,
554 pages = {171-177}
555 }
556
557 @Article{Paula96,
558 author = {S. Paula and A.~G. Volkov and A.~N. VanHoek and
559 T.~H. Haines and D.~W. Deamer},
560 title = {Permeation of protons, potassium ions, and small
561 polar molecules through phospholipid bilayers as a
562 function of membrane thickness},
563 journal = {Biophys. J.},
564 year = 1996,
565 volume = 70,
566 pages = {339-348}
567 }
568
569 @Article{Little96,
570 author = {H.~J. Little},
571 title = {How has molecular pharmacology contributed to our
572 understanding of the mechanism(s) of general
573 anesthesia?},
574 journal = {Pharmacology \& Therapeutics},
575 year = 1996,
576 volume = 69,
577 pages = {37-58}
578 }
579
580 @Article{McKinnon92,
581 author = {S.~J. McKinnon and S.~L. Whittenburg and B. Brooks},
582 title = {Nonequilibrium Molecular Dynamics Simulation of
583 Oxygen Diffusion through Hexadecane Monolayers with
584 Varying Concentrations of Cholesterol},
585 journal = jpc,
586 year = 1992,
587 volume = 96,
588 pages = {10497-10506}
589 }
590
591 @Article{Venable93,
592 author = {R.~M. Venable and Y. Zhang and B.~J. Hardy and
593 R.~W. Pastor},
594 title = {Molecular Dynamics Simulations of a Lipid Bilayer
595 and of Hexadecane: An Investigation of Membrane Fluidity},
596 journal = {Science},
597 year = 1993,
598 volume = 262,
599 pages = {223-226}
600 }
601
602 @Article{Essmann99,
603 author = {U. Essmann and M.~L. Berkowitz},
604 title = {Dynamical properties of phospholipid bilayers from
605 computer simulation},
606 journal = {Biophys. J.},
607 year = 1999,
608 volume = 76,
609 pages = {2081-2089}
610 }
611
612 @Article{Tu98,
613 author = {K.~C. Tu and M. Tarek and M.~L. Klein and D. Scharf},
614 title = {Effects of anesthetics on the structure of a
615 phospholipid bilayer: Molecular dynamics
616 investigation of halothane in the hydrated liquid
617 crystal phase of dipalmitoylphosphatidylcholine},
618 journal = {Biophys. J.},
619 year = 1998,
620 volume = 75,
621 pages = {2123-2134}
622 }
623
624 @Article{Pomes96,
625 author = {R. Pomes and B. Roux},
626 title = {Structure and dynamics of a proton wire: A
627 theoretical study of H+ translocation along the
628 single-file water chain in the gramicidin a channel},
629 journal = {Biophys. J.},
630 year = 1996,
631 volume = 71,
632 pages = {19-39}
633 }
634
635 @Article{Duwez60,
636 author = {P. Duwez and R.~H. Willens and W. {Klement~Jr.}},
637 title = {Continuous Series of Metastable Solid Solutions in
638 Silver-Copper Alloys},
639 journal = {J. Appl. Phys.},
640 year = 1960,
641 volume = 31,
642 pages = {1136-1137}
643 }
644
645 @Article{Peker93,
646 author = {A. Peker and W.~L. Johnson},
647 title = {A highly processable metallic-glass -
648 $\mbox{Zr}_{41.2}\mbox{Ti}_{13.8}\mbox{Cu}_{12.5}\mbox{Ni}_{10.0}\mbox{Be}_{22.5}$},
649 journal = {Appl. Phys. Lett.},
650 year = 1993,
651 volume = 63,
652 pages = {2342-2344}
653 }
654
655 @Article{ChoiYim97,
656 author = {H. Choi-Yim and W.~L. Johnson},
657 title = {Bulk metallic glass matrix composites},
658 journal = {Appl. Phys. Lett.},
659 year = 1997,
660 volume = 71,
661 pages = {3808-3810}
662 }
663
664 @Article{Sun96,
665 author = {X. Sun and S. Schneider and U. Geyer and
666 W.~L. Johnson and M.~A. Nicolet},
667 title = {Oxidation and crystallization of an amorphous
668 $\mbox{Zr}_{60}\mbox{Al}_{15}\mbox{Ni}_{25}$ alloy},
669 journal = {J. Mater. Res.},
670 year = 1996,
671 volume = 11,
672 pages = {2738-2743}
673 }
674
675 @Article{Heller93,
676 author = {H. Heller and M. Schaefer and K. Schulten},
677 title = {MOLECULAR DYNAMICS SIMULATION OF A BILAYER OF 200
678 LIPIDS IN THE GEL AND IN THE LIQUID-CRYSTAL PHASES},
679 journal = jpc,
680 year = 1993,
681 volume = 97,
682 pages = {8343-8360}
683 }
684
685 @Article{Kushick76,
686 author = {J. Kushick and B.~J. Berne},
687 title = {Computer Simulation of anisotropic molecular fluids},
688 journal = jcp,
689 year = 1976,
690 volume = 64,
691 pages = {1362-1367}
692 }
693
694 @Article{Berardi96,
695 author = {R. Berardi and S. Orlandi and C Zannoni},
696 title = {Antiphase structures in polar smectic liquid
697 crystals and their molecular origin},
698 journal = cpl,
699 year = 1996,
700 volume = 261,
701 pages = {357-362}
702 }
703
704 @Article{Berardi99,
705 author = {R. Berardi and S. Orlandi and C. Zannoni},
706 title = {Monte Carlo simulations of rod-like Gay-Berne
707 mesogens with transverse dipoles},
708 journal = {Int. J. Mod. Phys. C},
709 year = 1999,
710 volume = 10,
711 pages = {477-484}
712 }
713
714 @Article{Pasterny2000,
715 author = {K. Pasterny and E. Gwozdz and A. Brodka},
716 title = {Properties of a model liquid crystal: Polar
717 Gay-Berne particles},
718 journal = {J. Mol. Liq.},
719 year = 2000,
720 volume = 85,
721 pages = {173-184}
722 }
723
724 @Article{Jorgensen83,
725 author = {W.~L. Jorgensen and J. Chandrasekhar and
726 J.~D. Madura and R.~W. Impey and M.~L. Klein},
727 title = {COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR
728 SIMULATING LIQUID WATER},
729 journal = jcp,
730 year = 1983,
731 volume = 79,
732 pages = {926-935}
733 }
734
735 @Article{Berardi98,
736 author = {R. Berardi and C. Fava and C. Zannoni},
737 title = {A Gay-Berne potential for dissimilar biaxial particles},
738 journal = cpl,
739 year = 1998,
740 volume = 297,
741 pages = {8-14}
742 }
743
744 @Article{Luckhurst90,
745 author = {G.~R. Luckhurst and R.~A. Stephens and R.~W. Phippen},
746 title = {Computer simulation studies of anisotropic systems
747 {XIX}. Mesophases formed by the Gay-Berne model mesogen},
748 journal = {Liquid Crystals},
749 year = 1990,
750 volume = 8,
751 pages = {451-464}
752 }
753
754 @Article{Gay81,
755 author = {J.~G. Gay and B.~J. Berne},
756 title = {MODIFICATION OF THE OVERLAP POTENTIAL TO MIMIC A
757 LINEAR SITE-SITE POTENTIAL},
758 journal = jcp,
759 year = 1981,
760 volume = 74,
761 pages = {3316-3319}
762 }
763
764 @Article{Berne72,
765 author = {B.~J. Berne and P. Pechukas},
766 title = {Gaussian Model Potentials for Molecular Interactions},
767 journal = jcp,
768 year = 1972,
769 volume = 56,
770 pages = {4213-4216}
771 }
772
773 @Article{Perram96,
774 author = {J.~W. Perram and J. Rasmussen and E. Praestgaard and
775 J.~L. Lebowitz},
776 title = {Ellipsoid contact potential: Theory and relation to
777 overlap potentials},
778 journal = pre,
779 year = 1996,
780 volume = 54,
781 pages = {6565-6572}
782 }
783
784 @Article{Cornell95,
785 author = {W.~D. Cornell and P. Cieplak and C.~I. Bayly and
786 I.~R. Gould and K.~M. {Merz, Jr.} and D.~M. Ferguson
787 and D.~C. Spellmeyer and T. Fox and J.~W. Caldwell
788 and P.~A. Kollman},
789 title = {A second generation force field for the simulation
790 of proteins and nucleic acids},
791 journal = jacs,
792 year = 1995,
793 volume = 117,
794 pages = {5179-5197}
795 }
796
797 @Article{Brooks83,
798 author = {B.~R. Brooks and R.~E. Bruccoleri and B.~D. Olafson
799 and D.~J. States and S. Swaminathan and M. Karplus},
800 title = {CHARMM: A Program for Macromolecular Energy, Minimization, and Dynamics Calculations},
801 journal = {J. Comp. Chem.},
802 year = 1983,
803 volume = 4,
804 pages = {187-217}
805 }
806
807 @InCollection{MacKerell98,
808 author = {A.~D. {MacKerell, Jr.} and B. Brooks and
809 C.~L. {Brooks III} and L. Nilsson and B. Roux and
810 Y. Won and and M. Karplus},
811 title = {CHARMM: The Energy Function and Its Parameterization
812 with an Overview of the Program},
813 booktitle = {The Encyclopedia of Computational Chemistry},
814 pages = {271-277},
815 publisher = {John Wiley \& Sons},
816 year = 1998,
817 editor = {P.~v.~R. {Schleyer, {\it et al.}}},
818 volume = 1,
819 address = {New York}
820 }
821
822 @InCollection{Jorgensen98,
823 author = {W.~L. Jorgensen},
824 title = {OPLS Force Fields},
825 booktitle = {The Encyclopedia of Computational Chemistry},
826 pages = {1986-1989},
827 publisher = {John Wiley \& Sons},
828 year = 1998,
829 editor = {P.~v.~R. {Schleyer, {\it et al.}}},
830 volume = 3,
831 address = {New York}
832 }
833
834 @Article{Rabani2000,
835 author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
836 title = {Reply to `Comment on ``Direct Observation of
837 Stretched-Exponential Relaxation in Low-Temperature
838 Lennard-Jones Systems Using th eCage Correlation
839 Function'' '},
840 journal = prl,
841 year = 2000,
842 volume = 85,
843 pages = 467
844 }
845
846 @Book{Cevc87,
847 author = {G. Cevc and D. Marsh},
848 title = {Phospholipid Bilayers},
849 publisher = {John Wiley \& Sons},
850 year = 1987,
851 address = {New York}
852 }
853
854 @Article{Janiak79,
855 author = {M.~J. Janiak and D.~M. Small and G.~G. Shipley},
856 title = {Temperature and Compositional Dependence of the
857 Structure of Hydrated Dimyristoyl Lecithin},
858 journal = {J. Biol. Chem.},
859 year = 1979,
860 volume = 254,
861 pages = {6068-6078}
862 }
863
864 @Book{Tobias90,
865 author = {Sheila Tobias},
866 title = {They're not Dumb. They're Different: Stalking the
867 Second Tier},
868 publisher = {Research Corp.},
869 year = 1990,
870 address = {Tucson}
871 }
872
873 @Article{Mazur92,
874 author = {E. Mazur},
875 title = {Qualitative vs. Quantititative Thinking: Are we
876 teaching the right thing? },
877 journal = {Optics and Photonics News},
878 year = 1992,
879 volume = 3,
880 pages = 38
881 }
882
883 @Book{Mazur97,
884 author = {Eric Mazur},
885 title = {Peer Instruction: A User's Manual},
886 publisher = {Prentice Hall},
887 year = 1997,
888 address = {New Jersey}
889 }
890
891 @Article{Wigner55,
892 author = {E.~P. Wigner},
893 title = {Characteristic Vectors of Bordered Matrices with
894 Infinite Dimensions},
895 journal = {Annals of Mathematics},
896 year = 1955,
897 volume = 62,
898 pages = {548-564}
899 }
900
901 @Article{Gaukel98,
902 author = {C. Gaukel and H.~R. Schober},
903 title = {Diffusion Mechanisms in under-cooled Binary Metal
904 Liquids of $\mbox{Zr}_{67}\mbox{Cu}_{33}$},
905 journal = {Solid State Comm.},
906 year = 1998,
907 volume = 107,
908 pages = {1-5}
909 }
910
911 @Article{Qi99,
912 author = {Y. Qi and T. \c{C}a\v{g}in and Y.
913 Kimura and W.~A. {Goddard III}},
914 title = {Molecular-dynamics simulations of glass formation
915 and crystallization in binary liquid metals: Cu-Ag
916 and Cu-Ni},
917 journal = prb,
918 year = 1999,
919 volume = 59,
920 number = 5,
921 pages = {3527-3533}
922 }
923
924 @Article{Khorunzhy97,
925 author = {A. Khorunzhy and G.~J. Rodgers},
926 title = {Eigenvalue distribution of large dilute random matrices},
927 journal = {J. Math. Phys.},
928 year = 1997,
929 volume = 38,
930 pages = {3300-3320}
931 }
932
933 @Article{Rodgers88,
934 author = {G.~J. Rodgers and A. Bray},
935 title = {Density of States of a Sparse Random Matrix},
936 journal = {Phys. Rev. B},
937 year = 1988,
938 volume = 37,
939 pages = 355703562
940 }
941
942 @Article{Rodgers90,
943 author = {G.~J. Rodgers and C. {De Dominicis}},
944 title = {Density of states of sparse random matrices},
945 journal = {J. Phys. A: Math. Gen.},
946 year = 1990,
947 volume = 23,
948 pages = {1567-1573}
949 }
950
951 @InProceedings{Barker80,
952 author = {J.~A. Barker},
953 title = {Reaction field method for polar fluids},
954 booktitle = {The problem of long-range forces in the computer
955 simulation of condensed matter},
956 pages = {45-6},
957 year = 1980,
958 editor = {D. Ceperley},
959 volume = 9,
960 series = {NRCC Workshop Proceedings}
961 }
962
963 @Article{Smith82,
964 author = {W. Smith},
965 title = {Point multipoles in the Ewald summation},
966 journal = {CCP5 Quarterly},
967 year = 1982,
968 volume = 4,
969 pages = {13-25}
970 }
971
972 @Article{Daw84,
973 author = {M.~S. Daw and M.~I. Baskes},
974 title = {Embedded-atom method: Derivation and application to
975 impurities, surfaces, and other defects in metals},
976 journal = prb,
977 year = 1984,
978 volume = 29,
979 number = 12,
980 pages = {6443-6453}
981 }
982
983
984 @Article{Chen90,
985 author = {A.~P. Sutton and J. Chen},
986 title = {Long-Range Finnis Sinclair Potentials},
987 journal = {Phil. Mag. Lett.},
988 year = 1990,
989 volume = 61,
990 pages = {139-146}
991 }
992
993 @Article{Lu97,
994 author = {J. Lu and J.~A. Szpunar},
995 title = {Applications of the embedded-atom method to glass
996 formation and crystallization of liquid and glass
997 transition-metal nickel},
998 journal = {Phil. Mag. A},
999 year = {1997},
1000 volume = {75},
1001 pages = {1057-1066},
1002 }
1003
1004 @Article{Shlesinger99,
1005 author = {M.~F. Shlesinger and J. Klafter and G. Zumofen},
1006 title = {Above, below, and beyond Brownian motion},
1007 journal = {Am. J. Phys.},
1008 year = 1999,
1009 volume = 67,
1010 pages = {1253-1259}
1011 }
1012
1013 @Article{Klafter96,
1014 author = {J. Klafter and M. Shlesinger and G. Zumofen},
1015 title = {Beyond Brownian Motion},
1016 journal = {Physics Today},
1017 year = 1996,
1018 volume = 49,
1019 pages = {33-39}
1020 }
1021
1022 @Article{Blumen83,
1023 author = {A. Blumen and J. Klafter and G. Zumofen},
1024 title = {Recombination in amorphous materials as a
1025 continuous-time random-walk problem},
1026 journal = {Phys. Rev. B},
1027 year = 1983,
1028 volume = 27,
1029 pages = {3429-3435}
1030 }
1031
1032 @Article{Klafter94,
1033 author = {J. Klafter and G. Zumofen},
1034 title = {Probability Distributions for Continuous-Time Random
1035 Walks with Long Tails},
1036 journal = jpc,
1037 year = 1994,
1038 volume = 98,
1039 pages = {7366-7370}
1040 }
1041
1042
1043 @Article{Dzugutov92,
1044 author = {M. Dzugutov},
1045 title = {Glass formation in a simple monatomic liquid with
1046 icosahedral inherent local order},
1047 journal = pra,
1048 year = 1992,
1049 volume = 46,
1050 pages = {R2984-R2987}
1051 }
1052
1053 @Article{Moore94,
1054 author = {P. Moore and T. Keyes},
1055 title = {Normal Mode Analysis of Liquid $\mbox{CS}_2$: Velocity
1056 Correlation Functions and Self-Diffusion Constants},
1057 journal = jcp,
1058 year = 1994,
1059 volume = 100,
1060 pages = 6709
1061 }
1062
1063 @Article{Seeley89,
1064 author = {G. Seeley and T. Keyes},
1065 title = {Normal-mode analysis of liquid-state dynamics},
1066 journal = jcp,
1067 year = 1989,
1068 volume = 91,
1069 pages = {5581-5586}
1070 }
1071
1072 @Article{Madan90,
1073 author = {B. Madan and T. Keyes and G. Seeley},
1074 title = {Diffusion in supercooled liquids via normal mode
1075 analysis},
1076 journal = jcp,
1077 year = 1990,
1078 volume = 92,
1079 pages = {7565-7569}
1080 }
1081
1082 @Article{Madan91,
1083 author = {B. Madan and T. Keyes and G. Seeley},
1084 title = {Normal mode analysis of the velocity correlation
1085 function in supercooled liquids},
1086 journal = jcp,
1087 year = 1991,
1088 volume = 94,
1089 pages = {6762-6769}
1090 }
1091
1092 @Article{Buchner92,
1093 author = {M. Buchner, B.~M. Ladanyi and R.~M. Stratt},
1094 title = {The short-time dynamics of molecular
1095 liquids. Instantaneous-normal-mode theory},
1096 journal = jcp,
1097 year = 1992,
1098 volume = 97,
1099 pages = {8522-8535}
1100 }
1101
1102 @Article{Wan94,
1103 author = {Yi. Wan and R.~M. Stratt},
1104 title = {Liquid theory for the instantaneous normal modes of
1105 a liquid},
1106 journal = jcp,
1107 year = 1994,
1108 volume = 100,
1109 pages = {5123-5138}
1110 }
1111
1112 @article{Stratt95,
1113 author = {R.~M. Stratt},
1114 title = {The instantaneous normal modes of liquids},
1115 journal = {Acc. Chem. Res.},
1116 year = 1995,
1117 volume = 28,
1118 pages = {201-207}
1119 }
1120
1121 @Article{Nitzan95,
1122 author = {G.~V. Vijayadamodar and A. Nitzan},
1123 title = {On the application of instantaneous normal mode
1124 analysis to long time dynamics of liquids},
1125 journal = jcp,
1126 year = 1995,
1127 volume = 103,
1128 pages = {2169-2177}
1129 }
1130
1131 @Article{Ribeiro98,
1132 author = "M.~C.~C. Ribeiro and P.~A. Madden",
1133 title = "Unstable Modes in Ionic Melts",
1134 journal = jcp,
1135 year = 1998,
1136 volume = 108,
1137 pages = {3256-3263}
1138 }
1139
1140 @Article{Keyes98a,
1141 author = {T. Keyes and W.-X. Li and U.~Z{\"{u}}rcher},
1142 title = {Comment on a critique of the instantaneous normal
1143 mode (INM) approach to diffusion
1144 (J. Chem. Phys. {\bf 107}, 4618 (1997))},
1145 journal = jcp,
1146 year = 1998,
1147 volume = 109,
1148 pages = {4693-4694}
1149 }
1150
1151 @Article{Alemany98,
1152 author = {M.~M.~G. Alemany and C. Rey and L.~J. Gallego},
1153 title = {Transport coefficients of liquid transition metals:
1154 A computer simulation study using the embedded atom
1155 model},
1156 journal = jcp,
1157 year = 1998,
1158 volume = 109,
1159 pages = {5175-5176}
1160 }
1161
1162 @Article{Belonoshko00,
1163 author = {A.~B. Belonoshko and R. Ahuja and O. Eriksson and
1164 B. Johansson},
1165 title = {Quasi ab initio molecular dynamic study of Cu melting},
1166 journal = prb,
1167 year = 2000,
1168 volume = 61,
1169 pages = {3838-3844}
1170 }
1171
1172 @Article{Banhart92,
1173 author = {J. Banhart and H. Ebert and R. Kuentzler and
1174 J. Voitl\"{a}nder},
1175 title = {Electronic properties of single-phased metastable
1176 Ag-Cu alloys},
1177 journal = prb,
1178 year = 1992,
1179 volume = 46,
1180 pages = {9968-9975}
1181 }
1182
1183 @Article{Wendt78,
1184 author = {H. Wendt and F.~F. Abraham},
1185 title = {},
1186 journal = prl,
1187 year = 1978,
1188 volume = 41,
1189 pages = 1244
1190 }
1191
1192 @Article{Lewis91,
1193 author = {L.~J. Lewis},
1194 title = {Atomic dynamics through the glass transition},
1195 journal = prb,
1196 year = 1991,
1197 volume = 44,
1198 pages = {4245-4254}
1199 }
1200
1201 @Article{Liu92,
1202 author = {R.~S. Liu and D.~W. Qi and S. Wang},
1203 title = {Subpeaks of structure factors for rapidly quenched metals},
1204 journal = prb,
1205 year = 1992,
1206 volume = 45,
1207 pages = {451-453}
1208 }
1209
1210 @Book{pliny,
1211 author = {Pliny},
1212 title = {Hist. Nat.},
1213 publisher = { },
1214 year = { },
1215 volume = {XXXVI}
1216 }
1217
1218 @Article{Anheuser94,
1219 author = {K. Anheuser and J.P. Northover},
1220 title = {Silver plating of Roman and Celtic coins from Britan - a technical study},
1221 journal = {Brit. Num. J.},
1222 year = 1994,
1223 volume = 64,
1224 pages = 22
1225 }
1226
1227 @Article{Pense92,
1228 author = {A. W. Pense},
1229 title = {The Decline and Fall of the Roman Denarius},
1230 journal = {Mat. Char.},
1231 year = 1992,
1232 volume = 29,
1233 pages = 213
1234 }
1235
1236 @Article{Ngai81,
1237 author = {K.~L. Ngai and F.-S. Liu},
1238 title = {Dispersive diffusion transport and noise,
1239 time-dependent diffusion coefficient, generalized
1240 Einstein-Nernst relation, and dispersive
1241 diffusion-controlled unimolecular and bimolecular
1242 reactions},
1243 journal = prb,
1244 year = 1981,
1245 volume = 24,
1246 pages = {1049-1065}
1247 }
1248
1249 @Unpublished{Truhlar00,
1250 author = {D.~G. Truhlar and A. Kohen},
1251 note = {private correspondence}
1252 }
1253
1254 @Article{Truhlar78,
1255 author = {Donald G. Truhlar},
1256 title = {Interpretation of the Activation Energy},
1257 journal = {J. Chem. Ed.},
1258 year = 1978,
1259 volume = 55,
1260 pages = 309
1261 }
1262
1263 @Book{Tolman27,
1264 author = {R. C. Tolman},
1265 title = {Statistical Mechanics with Applications to Physics and Chemistry},
1266 chapter = {},
1267 publisher = {Chemical Catalog Co.},
1268 address = {New York},
1269 year = 1927,
1270 pages = {260-270}
1271 }
1272
1273 @Article{Tolman20,
1274 author = {R. C. Tolman},
1275 title = {Statistical Mechanics Applied to Chemical Kinetics},
1276 journal = jacs,
1277 year = 1920,
1278 volume = 42,
1279 pages = 2506
1280 }
1281
1282 @Article{Nagel96,
1283 author = {M.D. Ediger and C.A. Angell and Sidney R. Nagel},
1284 title = {Supercooled Liquids and Glasses},
1285 journal = jpc,
1286 year = 1996,
1287 volume = 100,
1288 pages = 13200
1289 }
1290
1291 @InBook{Blumen86,
1292 author = {A. Blumen and J. Klafter and G. Zumofen},
1293 editor = {Luciano Peitronero and E. Tosatti},
1294 title = {Fractals in Physics},
1295 chapter = {Reactions in Disordered Media Modelled by Fractals},
1296 publisher = {North-Holland},
1297 year = 1986,
1298 series = {International Symposium on Fractals in Physics},
1299 address = {Amsterdam},
1300 pages = 399
1301 }
1302
1303 @Article{Shlesinger84,
1304 author = {M.~F. Shlesinger and E.~W. Montroll},
1305 title = {On the Williams-Watts function of dielectric relaxation},
1306 journal = {Proc. Natl. Acad. Sci. USA},
1307 year = 1984,
1308 volume = 81,
1309 pages = {1280-1283}
1310 }
1311
1312 @Article{Klafter86,
1313 author = {J. Klafter and M.~F. Shlesinger},
1314 title = {On the relationship among three theories of
1315 relaxation in disordered systems},
1316 journal = {Proc. Natl. Acad. Sci. USA},
1317 year = 1986,
1318 volume = 83,
1319 pages = {848-851}
1320 }
1321
1322 @Article{Li2001,
1323 author = {Z. Li and M. Lieberman and W. Hill},
1324 title = {XPS and SERS Study of Silicon Phthalocyanine
1325 Monolayers: umbrella vs. octopus design strategies
1326 for formation of oriented SAMs},
1327 journal = {Langmuir},
1328 year = 2001,
1329 note = {submitted}
1330 }
1331
1332 @Article{Evans1993,
1333 author = {J.~W. Evans},
1334 title = {Random and Cooperative Sequential Adsorption},
1335 journal = rmp,
1336 year = 1993,
1337 volume = 65,
1338 pages = {1281-1329}
1339 }
1340
1341
1342 @Article{Dwyer1977,
1343 author = {D.~J. Dwyer and G.~W. Simmons and R.~P. Wei},
1344 title = {unknown},
1345 journal = {Surf. Sci.},
1346 year = 1977,
1347 volume = 64,
1348 pages = 617
1349 }
1350
1351 @Article{Macritche1978,
1352 author = {F. MacRitche},
1353 title = {unknown},
1354 journal = {Adv. Protein Chem.},
1355 year = 1978,
1356 volume = 32,
1357 pages = 283
1358 }
1359
1360 @Article{Feder1980,
1361 author = {J. Feder},
1362 title = {unknown},
1363 journal = {J. Theor. Biol.},
1364 year = 1980,
1365 volume = 87,
1366 pages = 237
1367 }
1368
1369 @Article{Ramsden1993,
1370 author = {J.~J. Ramsden},
1371 title = {unknown},
1372 journal = prl,
1373 year = 1993,
1374 volume = 71,
1375 pages = 295
1376 }
1377
1378
1379 @Article{Egelhoff1989,
1380 author = {W.~F. Egelhoff and I. Jacob},
1381 title = {unknown},
1382 journal = prl,
1383 year = 1989,
1384 volume = 62,
1385 pages = 921
1386 }
1387
1388
1389 @Article{Viot1992a,
1390 author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1391 title = {RANDOM SEQUENTIAL ADSORPTION OF ANISOTROPIC
1392 PARTICLES 1. JAMMING LIMIT AND ASYMPTOTIC-BEHAVIOR},
1393 journal = jpc,
1394 year = 1992,
1395 volume = 97,
1396 pages = {5212-5218}
1397 }
1398
1399 @Article{Viot1992b,
1400 author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1401 title = {SATURATION COVERAGE IN RANDOM SEQUENTIAL ADSORPTION
1402 OF VERY ELONGATED PARTICLES},
1403 journal = {Physica A},
1404 year = 1992,
1405 volume = 191,
1406 pages = {248-252}
1407 }
1408
1409 @Article{Dobson1987,
1410 author = {B.~W. Dobson},
1411 title = {unknown},
1412 journal = prb,
1413 year = 1987,
1414 volume = 36,
1415 pages = 1068
1416 }
1417
1418 @Article{Boyer1995,
1419 author = {D. Boyer and P. Viot and G. Tarjus and J. Talbot},
1420 title = {PERCUS-YEVICK-LIKE INTERGRAL EQUATION FOR RANDOM SEQUENTIAL
1421 ADSORPTION},
1422 journal = jcp,
1423 year = 1995,
1424 volume = 103,
1425 pages = 1607
1426 }
1427
1428 @Article{Viot1992c,
1429 author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1430 title = {SATURATION COVERAGE OF HIGHLY ELONGATED ANISOTROPIC
1431 PARTICLES},
1432 journal = {Physica A},
1433 year = 1992,
1434 volume = 191,
1435 pages = {248-252}
1436 }
1437
1438 @Article{Ricci1994,
1439 author = {S.~M. Ricci and J. Talbot and G. Tarjus and P. Viot},
1440 title = {A STRUCTURAL COMPARISON OF RANDOM SEQUENTIAL ADSORPTION AND
1441 EQUILIBRIUM CONFIGURATIONS OF SPHEROCYLINDERS},
1442 journal = jcp,
1443 year = 1994,
1444 volume = 101,
1445 pages = 9164
1446 }
1447
1448 @Article{Semmler1998,
1449 author = {M. Semmler and E.~K. Mann and J. Ricka and M. Borkovec},
1450 title = {Diffusional Deposition of Charged Latex Particles on
1451 Water-Solid Interfaces at Low Ionic Strength},
1452 journal = {Langmuir},
1453 year = 1998,
1454 volume = 14,
1455 pages = {5127-5132}
1456 }
1457
1458 @Article{Solomon1986,
1459 author = {H. Solomon and H. Weiner},
1460 title = {A REVIEW OF THE PACKING PROBLEM},
1461 journal = {Comm. Statistics A},
1462 year = 1986,
1463 volume = 15,
1464 pages = {2571-2607}
1465 }
1466
1467 @Article{Bonnier1993,
1468 author = {B. Bonnier and M. Hontebeyrie and C. Meyers},
1469 title = {ON THE RANDOM FILLING OF R(D) BY NONOVERLAPPING
1470 D-DIMENSIONAL CUBES},
1471 journal = {Physica A},
1472 year = 1993,
1473 volume = 198,
1474 pages = {1-10}
1475 }
1476
1477 @Book{Frenkel1996,
1478 author = {D. Frenkel and B. Smit},
1479 title = {Understanding Molecular Simulation : From Algorithms
1480 to Applications},
1481 publisher = {Academic Press},
1482 year = 1996,
1483 address = {New York}
1484
1485
1486 }
1487
1488 @Article{Dullweber1997,
1489 author = {A. Dullweber and B. Leimkuhler and R. McLachlan},
1490 title = {Symplectic splitting methods for rigid body molecular
1491 dynamics},
1492 journal = jcp,
1493 year = 1997,
1494 volume = 107,
1495 number = 15,
1496 pages = {5840-5851}
1497 }
1498
1499 @Article{Siepmann1998,
1500 author = {M. Martin and J.~I. Siepmann},
1501 title = {Transferable Potentials for Phase Equilibria. 1. United-Atom
1502 Description of n-Alkanes},
1503 journal = jpcB,
1504 year = 1998,
1505 volume = 102,
1506 pages = {2569-2577}
1507 }
1508
1509 @Article{Marrink01,
1510 author = {S.~J. Marrink and E. Lindahl and O. Edholm and A.~E. Mark},
1511 title = {Simulations of the Spontaneous Aggregation of Phospholipids
1512 into Bilayers},
1513 journal = jacs,
1514 year = 2001,
1515 volume = 123,
1516 pages = {8638-8639}
1517 }
1518
1519 @Article{Ichiye96,
1520 author = {Y. Liu and T. Ichiye},
1521 title = {Soft sticky dipole potential for liquid water: a new model},
1522 journal = jpc,
1523 year = 1996,
1524 volume = 100,
1525 pages = {2723-2730}
1526 }
1527
1528 @Article{Ichiye96b,
1529 author = {Y. Liu and T. Ichiye},
1530 title = {The static dielectric constant of the soft sticky dipole
1531 model of liquid water: Monte Carlo simulation},
1532 journal = cpl,
1533 year = 1996,
1534 volume = 256,
1535 pages = {334-340}
1536 }
1537
1538 @Article{Ichiye99,
1539 author = {A. Chandra and T. Ichiye},
1540 title = {Dynamical properties of the soft sticky dipole model of
1541 water: Molecular dynamics simulations},
1542 journal = jcp,
1543 year = 1999,
1544 volume = 111,
1545 number = 6,
1546 pages = {2701-2709}
1547 }
1548
1549 @Article{Hoover85,
1550 author = {W.~G. Hoover},
1551 title = {Canonical dynamics: Equilibrium phase-space distributions},
1552 journal = pra,
1553 year = 1985,
1554 volume = 31,
1555 number = 3,
1556 pages = {1695-1697}
1557 }
1558
1559 @Article{Hoover86,
1560 author = {W.~G. Hoover},
1561 title = {Constant-pressure equations of motion},
1562 journal = pra,
1563 year = 1986,
1564 volume = 34,
1565 number = 3,
1566 pages = {2499-2500}
1567 }
1568
1569 @Article{Bratko85,
1570 author = {D. Bratko and L. Blum and A. Luzar},
1571 title = {A simple model for the intermolecular potential of water},
1572 journal = jcp,
1573 year = 1985,
1574 volume = 83,
1575 number = 12,
1576 pages = {6367-6370}
1577 }
1578
1579 @Article{Bratko95,
1580 author = {L. Blum and F. Vericat and D. Bratko},
1581 title = {Towards an analytical model of water: The octupolar model},
1582 journal = jcp,
1583 year = 1995,
1584 volume = 102,
1585 number = 3,
1586 pages = {1461-1462}
1587 }
1588
1589 @Book{AllenTildesley,
1590 author = {M.~P. Allen and D.~J. Tildesley},
1591 title = {Computer Simulation of Liquids},
1592 publisher = {Oxford University Press},
1593 address = {New York},
1594 year = 1987
1595 }
1596
1597 @Article{Rahman72,
1598 author = {A. Rahman and F.~H. Stillinger},
1599 title = {Proton Distribution in Ice and the Kirkwood Correlation
1600 Factor},
1601 journal = jcp,
1602 year = 1972,
1603 volume = 57,
1604 number = 9,
1605 pages = {4009-4017}
1606 }
1607
1608 @Article{Bernal33,
1609 author = {J.~D. Bernal and R.~H. Fowler},
1610 title = {Ice Rules???},
1611 journal = jcp,
1612 year = 1933,
1613 volume = 1,
1614 pages = 515
1615 }
1616
1617 @Book{CRC80,
1618 editor = {R.~C. Weast},
1619 title = {CRC Handbook of Chemistry and Physics},
1620 publisher = {CRC Press, Inc.},
1621 year = 1980,
1622 address = {Boca Raton, FL},
1623 edition = 60
1624 }
1625
1626 @Article{Jorgensen98b,
1627 author = {W.~L. Jorgensen and C. Jenson},
1628 title = {Temperature Dependence of TIP3P, SPC, and TIP4P Water
1629 from NPT Monte Carlo Simulations: Seeking Temperatures
1630 of Maximum Density},
1631 journal = jcc,
1632 year = 1998,
1633 volume = 19,
1634 number = 10,
1635 pages = {1179-1186}
1636 }
1637
1638 @Article{Wang53,
1639 author = {J.~H. Wang and C.~V. Robinson and I.~S. Edelman},
1640 title = {Self-diffusion and Structure of Liquid Water. III.
1641 Measurement of the Self-diffusion of Liquid Water
1642 with H$^{2}$, H$^{3}$ and O$^18$ as Tracers},
1643 journal = jacs,
1644 year = 1953,
1645 volume = 75,
1646 pages = {466-470}
1647 }
1648
1649 @Article{Wang65,
1650 author = {J.~H. Wang},
1651 title = {Self-Diffusion Coefficients of Water},
1652 journal = jpc,
1653 year = 1972,
1654 volume = 69,
1655 pages = 4412
1656 }
1657
1658 @Article{Gillen72,
1659 author = {K.~T. Gillen and D.~C. Douglas and M.~J.~R. Hoch},
1660 title = {Self-Diffusion in Liquid Water to $-31^\circ$~C},
1661 journal = jcp,
1662 year = 1972,
1663 volume = 57,
1664 pages = {5117-5119}
1665 }
1666
1667 @Article{Clancy94,
1668 author = {L.~A. B\'{a}ez and P. Clancy},
1669 title = {Existence of a density maximum in extended simple point
1670 charge water},
1671 journal = jcp,
1672 year = 1994,
1673 volume = 101,
1674 number = 11,
1675 pages = {9837-9840}
1676 }
1677
1678 @Article{Berendsen87,
1679 author = {H.~J.~C. Berendsen and J.~R. Grigera and T.~P. Straatsma},
1680 title = {The Missing Term in Effective Pair Potentials},
1681 journal = jpc,
1682 year = 1987,
1683 volume = 91,
1684 pages = {6269-6271},
1685 }
1686
1687
1688 @Article{Jorgensen00,
1689 author = {M.~W. Mahoney and W.~L. Jorgensen},
1690 title = {A five-site model for liquid water and the reproduction
1691 of the density anomaly by rigid, nonpolarizable potential
1692 functions},
1693 journal = jcp,
1694 year = 2000,
1695 volume = 112,
1696 number = 20,
1697 pages = {8910-8922},
1698 }
1699
1700 @Article{Laird97,
1701 author = {A. Kol and B.~B. Laird and B.~J. Leimkuhler},
1702 title = {A symplectic method for rigid-body molecular simulation},
1703 journal = jcp,
1704 year = 1997,
1705 volume = 107,
1706 number = 7,
1707 pages = {2580-2588}
1708 }
1709
1710 @Article{Berendsen98,
1711 author = {D. van der Spoel and P.~J. van Maaren and H.~J.~C. Berendsen},
1712 title = {A systematc study of water models for molecular
1713 simulation: Derivation of water models optimized for
1714 use with a reaction field},
1715 journal = jcp,
1716 year = 1998,
1717 volume = 108,
1718 number = 24,
1719 pages = {10220-10230}
1720 }
1721
1722 @Article{Jorgensen01,
1723 author = {M.~W. Mahoney and W.~L. Jorgensen},
1724 title = {Diffusion constant of the TIP5P model of liquid water},
1725 journal = jcp,
1726 year = 2001,
1727 volume = 114,
1728 number = 1,
1729 pages = {363-366},
1730 }
1731
1732 @Article{Soper86,
1733 author = {A.~K. Soper and M.~G. Phillips},
1734 title = {A new determination of the structure of water at 298K},
1735 journal = cp,
1736 year = 1986,
1737 volume = 107,
1738 number = 1,
1739 pages = {47-60},
1740 }
1741
1742 @Article{Head-Gordon00_1,
1743 author = {G. Hura and J.~M. Sorenson and R.~M. Glaeser and T. Head-Gordon},
1744 title = {A high-quality x-ray scattering experiment on liquid
1745 water at ambient conditions},
1746 journal = jcp,
1747 year = 2000,
1748 volume = 113,
1749 number = 20,
1750 pages = {9140-9148},
1751 }
1752
1753 @Article{Head-Gordon00_2,
1754 author = {J.~M. Sorenson and G. Hura and R.~M. Glaeser and T. Head-Gordon},
1755 title = {What can x-ray scattering tell us about the radial
1756 distribution functions of water?},
1757 journal = jcp,
1758 year = 2000,
1759 volume = 113,
1760 number = 20,
1761 pages = {9149-9161},
1762 }
1763
1764 @Article{Barriol64,
1765 author = {J. Barriol and A. Weisbecker},
1766 title = {Contribution \`{a} l'\'{e}tude di\'{e}lectrique des
1767 liquides associ\'{e}s par liaisons hydrog\'{e}ne.},
1768 journal = {Compt. Rend. Acad. Sc. Paris},
1769 year = 1964,
1770 volume = 259,
1771 pages = {4643-4645},
1772 }
1773
1774 @Article{Mills73,
1775 author = {R. Mills},
1776 title = {Self-Diffusion in Normal and Heavy Water in the Range
1777 1-45$^\circ$},
1778 journal = jpc,
1779 year = 1973,
1780 volume = 77,
1781 number = 5,
1782 pages = {685-688},
1783 }
1784
1785 @Article{Sprik91,
1786 author = {M. Sprik},
1787 title = {Hydrogen bonding and the static dielectric constant in
1788 liquid water},
1789 journal = jcp,
1790 year = 1991,
1791 volume = 95,
1792 number = 9,
1793 pages = {6762-6769},
1794 }
1795
1796 @Article{Kusalik02,
1797 author = {A.~V. Gubskaya and P.~G. Kusalik},
1798 title = {The total molecular dipole moment for liquid water},
1799 journal = jcp,
1800 year = 2002,
1801 volume = 117,
1802 number = 11,
1803 pages = {5290-5302},
1804 }
1805
1806 @Article{Badyal00,
1807 author = {Y.~S. Badyal and M.~-L. Saboungi and D.~L. Price and
1808 S.~D. Shastri and D.~R. Haeffner and A.~K. Soper},
1809 title = {Electron distribution in water},
1810 journal = jcp,
1811 year = 2000,
1812 volume = 112,
1813 number = 21,
1814 pages = {9206-9208},
1815 }
1816
1817 @Article{Karplus83,
1818 author = {B.~R. Brooks and R.~E. Bruccoleri and B.~D. Olafson and
1819 D.~J. States and S. Swaminathan and M. Karplus},
1820 title = {CHARMM: A Program for Macromolecular Energy, Minimization,
1821 and Dynamics Calculations},
1822 journal = jcc,
1823 year = 1983,
1824 volume = 4,
1825 number = 2,
1826 pages = {187-217},
1827 }
1828
1829 @Article{Darden99,
1830 author = {C. Sagui and T.~A. Darden},
1831 title = {Molecular Dynamics Simulations of biomolecules: Long-Range
1832 Electrostatic Effects},
1833 journal = {Annu. Rev. Biophys. Biomol. Struct.},
1834 year = 1999,
1835 volume = 28,
1836 pages = {155-179},
1837 }
1838
1839 @Article{Ichiye03,
1840 author = {M.-L. Tan and J.~T. Fischer and A. Chandra and B.~R. Brooks
1841 and T. Ichiye},
1842 title = {A temperature of maximum density in soft sticky dipole
1843 water},
1844 journal = cpl,
1845 year = 2003,
1846 volume = 376,
1847 pages = {646-652},
1848 }
1849
1850 @Article{Nezbeda02,
1851 author = {M. Lisal and J. Kolafa and I. Nezbeda},
1852 title = {An examination of the five-site potential (TIP5P) for water},
1853 journal = jcp,
1854 year = 2002,
1855 volume = 117,
1856 number = 19,
1857 pages = {8892-8897},
1858 }
1859
1860 @Article{Evans77b,
1861 author = {D.~J. Evans and S. Murad},
1862 title = {Singularity-free algorithm for molecular dynamics
1863 simulation of rigid polyatomics},
1864 journal = {Mol. Phys.},
1865 year = 1977,
1866 volume = 34,
1867 pages = {327-331},
1868 }
1869
1870 @Book{Rothschild84,
1871 author = {W.~G. Rothschild},
1872 title = {Dynamics of Molecular Liquids},
1873 publisher = {John Wiley \& Sons, Inc.},
1874 year = 1984,
1875 address = {New York},
1876 }
1877
1878 @Article{Rahman71,
1879 author = {A. Rahman and F.~H. Stillinger},
1880 title = {Molecular Dynamics Study of Liquid Water},
1881 journal = jcp,
1882 year = 1971,
1883 volume = 55,
1884 number = 7,
1885 pages = {3336-3359},
1886 }
1887
1888 @Article{Krynicki66,
1889 author = {K. Krynicki},
1890 title = {PROTON SPIN-LATTICE RELAXATION IN PURE WATER BETWEEN
1891 0$^\circ$C AND 100$^\circ$C},
1892 journal = {Physica},
1893 year = 1966,
1894 volume = 32,
1895 pages = {167-178},
1896 }
1897
1898 @Book{Eisenberg69,
1899 author = {D. Eisenberg and W. Kauzmann},
1900 title = {The Structure and Properties of Water},
1901 publisher = {Oxford University Press},
1902 year = 1969,
1903 address = {Oxford},
1904 }
1905
1906 @Article{Holz00,
1907 author = {M. Holz and S.~R. Heil and A. Sacco},
1908 title = {Temperature-dependent self-diffusion coefficients of
1909 water and six selected molecular liquids for calibration
1910 in accurate $^1$H NMR PFG measurements},
1911 journal = pccp,
1912 year = 2000,
1913 volume = 2,
1914 pages = {4740-4742},
1915 }
1916
1917 @Article{Barker73,
1918 author = {J.~A. Barker and R.~O. Watts},
1919 title = {Monte Carlo studies of the dielectric properties of
1920 water-like models},
1921 journal = mp,
1922 year = 1973,
1923 volume = 26,
1924 pages = {789-792}
1925 }
1926
1927 @Article{Melchionna93,
1928 author = {S. Melchionna and G. Ciccotti and B.~L. Holian},
1929 title = {Hoover NPT dynamics for systems varying in shape and size},
1930 journal = mp,
1931 year = 1993,
1932 volume = 78,
1933 number = 3,
1934 pages = {533-544}
1935 }
1936