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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
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 = {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 = {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: Cu-Ag
914 and 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 @Article{Daw89,
982 author = {M.~S. Daw},
983 title = {Model of metallic cohesion: The embedded-atom method},
984 journal = prb,
985 year = 1989,
986 volume = 39,
987 number = 11,
988 pages = 7441
989 }
990
991 @Article{Chen90,
992 author = {A.~P. Sutton and J. Chen},
993 title = {Long-Range Finnis Sinclair Potentials},
994 journal = {Phil. Mag. Lett.},
995 year = 1990,
996 volume = 61,
997 pages = {139-146}
998 }
999
1000 @Article{Lu97,
1001 author = {J. Lu and J.~A. Szpunar},
1002 title = {Applications of the embedded-atom method to glass
1003 formation and crystallization of liquid and glass
1004 transition-metal nickel},
1005 journal = {Phil. Mag. A},
1006 year = {1997},
1007 volume = {75},
1008 pages = {1057-1066},
1009 }
1010
1011 @Article{Shlesinger99,
1012 author = {M.~F. Shlesinger and J. Klafter and G. Zumofen},
1013 title = {Above, below, and beyond Brownian motion},
1014 journal = {Am. J. Phys.},
1015 year = 1999,
1016 volume = 67,
1017 pages = {1253-1259}
1018 }
1019
1020 @Article{Klafter96,
1021 author = {J. Klafter and M. Shlesinger and G. Zumofen},
1022 title = {Beyond Brownian Motion},
1023 journal = {Physics Today},
1024 year = 1996,
1025 volume = 49,
1026 pages = {33-39}
1027 }
1028
1029 @Article{Blumen83,
1030 author = {A. Blumen and J. Klafter and G. Zumofen},
1031 title = {Recombination in amorphous materials as a
1032 continuous-time random-walk problem},
1033 journal = {Phys. Rev. B},
1034 year = 1983,
1035 volume = 27,
1036 pages = {3429-3435}
1037 }
1038
1039 @Article{Klafter94,
1040 author = {J. Klafter and G. Zumofen},
1041 title = {Probability Distributions for Continuous-Time Random
1042 Walks with Long Tails},
1043 journal = jpc,
1044 year = 1994,
1045 volume = 98,
1046 pages = {7366-7370}
1047 }
1048
1049
1050 @Article{Dzugutov92,
1051 author = {M. Dzugutov},
1052 title = {Glass formation in a simple monatomic liquid with
1053 icosahedral inherent local order},
1054 journal = pra,
1055 year = 1992,
1056 volume = 46,
1057 pages = {R2984-R2987}
1058 }
1059
1060 @Article{Moore94,
1061 author = {P. Moore and T. Keyes},
1062 title = {Normal Mode Analysis of Liquid $\mbox{CS}_2$: Velocity
1063 Correlation Functions and Self-Diffusion Constants},
1064 journal = jcp,
1065 year = 1994,
1066 volume = 100,
1067 pages = 6709
1068 }
1069
1070 @Article{Seeley89,
1071 author = {G. Seeley and T. Keyes},
1072 title = {Normal-mode analysis of liquid-state dynamics},
1073 journal = jcp,
1074 year = 1989,
1075 volume = 91,
1076 pages = {5581-5586}
1077 }
1078
1079 @Article{Madan90,
1080 author = {B. Madan and T. Keyes and G. Seeley},
1081 title = {Diffusion in supercooled liquids via normal mode
1082 analysis},
1083 journal = jcp,
1084 year = 1990,
1085 volume = 92,
1086 pages = {7565-7569}
1087 }
1088
1089 @Article{Madan91,
1090 author = {B. Madan and T. Keyes and G. Seeley},
1091 title = {Normal mode analysis of the velocity correlation
1092 function in supercooled liquids},
1093 journal = jcp,
1094 year = 1991,
1095 volume = 94,
1096 pages = {6762-6769}
1097 }
1098
1099 @Article{Buchner92,
1100 author = {M. Buchner, B.~M. Ladanyi and R.~M. Stratt},
1101 title = {The short-time dynamics of molecular
1102 liquids. Instantaneous-normal-mode theory},
1103 journal = jcp,
1104 year = 1992,
1105 volume = 97,
1106 pages = {8522-8535}
1107 }
1108
1109 @Article{Wan94,
1110 author = {Yi. Wan and R.~M. Stratt},
1111 title = {Liquid theory for the instantaneous normal modes of
1112 a liquid},
1113 journal = jcp,
1114 year = 1994,
1115 volume = 100,
1116 pages = {5123-5138}
1117 }
1118
1119 @article{Stratt95,
1120 author = {R.~M. Stratt},
1121 title = {The instantaneous normal modes of liquids},
1122 journal = {Acc. Chem. Res.},
1123 year = 1995,
1124 volume = 28,
1125 pages = {201-207}
1126 }
1127
1128 @Article{Nitzan95,
1129 author = {G.~V. Vijayadamodar and A. Nitzan},
1130 title = {On the application of instantaneous normal mode
1131 analysis to long time dynamics of liquids},
1132 journal = jcp,
1133 year = 1995,
1134 volume = 103,
1135 pages = {2169-2177}
1136 }
1137
1138 @Article{Ribeiro98,
1139 author = "M.~C.~C. Ribeiro and P.~A. Madden",
1140 title = "Unstable Modes in Ionic Melts",
1141 journal = jcp,
1142 year = 1998,
1143 volume = 108,
1144 pages = {3256-3263}
1145 }
1146
1147 @Article{Keyes98a,
1148 author = {T. Keyes and W.-X. Li and U.~Z{\"{u}}rcher},
1149 title = {Comment on a critique of the instantaneous normal
1150 mode (INM) approach to diffusion
1151 (J. Chem. Phys. {\bf 107}, 4618 (1997))},
1152 journal = jcp,
1153 year = 1998,
1154 volume = 109,
1155 pages = {4693-4694}
1156 }
1157
1158 @Article{Alemany98,
1159 author = {M.~M.~G. Alemany and C. Rey and L.~J. Gallego},
1160 title = {Transport coefficients of liquid transition metals:
1161 A computer simulation study using the embedded atom
1162 model},
1163 journal = jcp,
1164 year = 1998,
1165 volume = 109,
1166 pages = {5175-5176}
1167 }
1168
1169 @Article{Belonoshko00,
1170 author = {A.~B. Belonoshko and R. Ahuja and O. Eriksson and
1171 B. Johansson},
1172 title = {Quasi ab initio molecular dynamic study of Cu melting},
1173 journal = prb,
1174 year = 2000,
1175 volume = 61,
1176 pages = {3838-3844}
1177 }
1178
1179 @Article{Banhart92,
1180 author = {J. Banhart and H. Ebert and R. Kuentzler and
1181 J. Voitl\"{a}nder},
1182 title = {Electronic properties of single-phased metastable
1183 Ag-Cu alloys},
1184 journal = prb,
1185 year = 1992,
1186 volume = 46,
1187 pages = {9968-9975}
1188 }
1189
1190 @Article{Wendt78,
1191 author = {H. Wendt and F.~F. Abraham},
1192 title = {},
1193 journal = prl,
1194 year = 1978,
1195 volume = 41,
1196 pages = 1244
1197 }
1198
1199 @Article{Lewis91,
1200 author = {L.~J. Lewis},
1201 title = {Atomic dynamics through the glass transition},
1202 journal = prb,
1203 year = 1991,
1204 volume = 44,
1205 pages = {4245-4254}
1206 }
1207
1208 @Article{Liu92,
1209 author = {R.~S. Liu and D.~W. Qi and S. Wang},
1210 title = {Subpeaks of structure factors for rapidly quenched metals},
1211 journal = prb,
1212 year = 1992,
1213 volume = 45,
1214 pages = {451-453}
1215 }
1216
1217 @Book{pliny,
1218 author = {Pliny},
1219 title = {Hist. Nat.},
1220 publisher = { },
1221 year = { },
1222 volume = {XXXVI}
1223 }
1224
1225 @Article{Anheuser94,
1226 author = {K. Anheuser and J.P. Northover},
1227 title = {Silver plating of Roman and Celtic coins from Britan - a technical study},
1228 journal = {Brit. Num. J.},
1229 year = 1994,
1230 volume = 64,
1231 pages = 22
1232 }
1233
1234 @Article{Pense92,
1235 author = {A. W. Pense},
1236 title = {The Decline and Fall of the Roman Denarius},
1237 journal = {Mat. Char.},
1238 year = 1992,
1239 volume = 29,
1240 pages = 213
1241 }
1242
1243 @Article{Ngai81,
1244 author = {K.~L. Ngai and F.-S. Liu},
1245 title = {Dispersive diffusion transport and noise,
1246 time-dependent diffusion coefficient, generalized
1247 Einstein-Nernst relation, and dispersive
1248 diffusion-controlled unimolecular and bimolecular
1249 reactions},
1250 journal = prb,
1251 year = 1981,
1252 volume = 24,
1253 pages = {1049-1065}
1254 }
1255
1256 @Unpublished{Truhlar00,
1257 author = {D.~G. Truhlar and A. Kohen},
1258 note = {private correspondence}
1259 }
1260
1261 @Article{Truhlar78,
1262 author = {Donald G. Truhlar},
1263 title = {Interpretation of the Activation Energy},
1264 journal = {J. Chem. Ed.},
1265 year = 1978,
1266 volume = 55,
1267 pages = 309
1268 }
1269
1270 @Book{Tolman27,
1271 author = {R. C. Tolman},
1272 title = {Statistical Mechanics with Applications to Physics and Chemistry},
1273 chapter = {},
1274 publisher = {Chemical Catalog Co.},
1275 address = {New York},
1276 year = 1927,
1277 pages = {260-270}
1278 }
1279
1280 @Article{Tolman20,
1281 author = {R. C. Tolman},
1282 title = {Statistical Mechanics Applied to Chemical Kinetics},
1283 journal = jacs,
1284 year = 1920,
1285 volume = 42,
1286 pages = 2506
1287 }
1288
1289 @Article{Nagel96,
1290 author = {M.D. Ediger and C.A. Angell and Sidney R. Nagel},
1291 title = {Supercooled Liquids and Glasses},
1292 journal = jpc,
1293 year = 1996,
1294 volume = 100,
1295 pages = 13200
1296 }
1297
1298 @InBook{Blumen86,
1299 author = {A. Blumen and J. Klafter and G. Zumofen},
1300 editor = {Luciano Peitronero and E. Tosatti},
1301 title = {Fractals in Physics},
1302 chapter = {Reactions in Disordered Media Modelled by Fractals},
1303 publisher = {North-Holland},
1304 year = 1986,
1305 series = {International Symposium on Fractals in Physics},
1306 address = {Amsterdam},
1307 pages = 399
1308 }
1309
1310 @Article{Shlesinger84,
1311 author = {M.~F. Shlesinger and E.~W. Montroll},
1312 title = {On the Williams-Watts function of dielectric relaxation},
1313 journal = {Proc. Natl. Acad. Sci. USA},
1314 year = 1984,
1315 volume = 81,
1316 pages = {1280-1283}
1317 }
1318
1319 @Article{Klafter86,
1320 author = {J. Klafter and M.~F. Shlesinger},
1321 title = {On the relationship among three theories of
1322 relaxation in disordered systems},
1323 journal = {Proc. Natl. Acad. Sci. USA},
1324 year = 1986,
1325 volume = 83,
1326 pages = {848-851}
1327 }
1328
1329 @Article{Li2001,
1330 author = {Z. Li and M. Lieberman and W. Hill},
1331 title = {XPS and SERS Study of Silicon Phthalocyanine
1332 Monolayers: umbrella vs. octopus design strategies
1333 for formation of oriented SAMs},
1334 journal = {Langmuir},
1335 year = 2001,
1336 note = {submitted}
1337 }
1338
1339 @Article{Evans1993,
1340 author = {J.~W. Evans},
1341 title = {Random and Cooperative Sequential Adsorption},
1342 journal = rmp,
1343 year = 1993,
1344 volume = 65,
1345 pages = {1281-1329}
1346 }
1347
1348
1349 @Article{Dwyer1977,
1350 author = {D.~J. Dwyer and G.~W. Simmons and R.~P. Wei},
1351 title = {unknown},
1352 journal = {Surf. Sci.},
1353 year = 1977,
1354 volume = 64,
1355 pages = 617
1356 }
1357
1358 @Article{Macritche1978,
1359 author = {F. MacRitche},
1360 title = {unknown},
1361 journal = {Adv. Protein Chem.},
1362 year = 1978,
1363 volume = 32,
1364 pages = 283
1365 }
1366
1367 @Article{Feder1980,
1368 author = {J. Feder},
1369 title = {unknown},
1370 journal = {J. Theor. Biol.},
1371 year = 1980,
1372 volume = 87,
1373 pages = 237
1374 }
1375
1376 @Article{Ramsden1993,
1377 author = {J.~J. Ramsden},
1378 title = {unknown},
1379 journal = prl,
1380 year = 1993,
1381 volume = 71,
1382 pages = 295
1383 }
1384
1385
1386 @Article{Egelhoff1989,
1387 author = {W.~F. Egelhoff and I. Jacob},
1388 title = {unknown},
1389 journal = prl,
1390 year = 1989,
1391 volume = 62,
1392 pages = 921
1393 }
1394
1395
1396 @Article{Viot1992a,
1397 author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1398 title = {RANDOM SEQUENTIAL ADSORPTION OF ANISOTROPIC
1399 PARTICLES 1. JAMMING LIMIT AND ASYMPTOTIC-BEHAVIOR},
1400 journal = jpc,
1401 year = 1992,
1402 volume = 97,
1403 pages = {5212-5218}
1404 }
1405
1406 @Article{Viot1992b,
1407 author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1408 title = {SATURATION COVERAGE IN RANDOM SEQUENTIAL ADSORPTION
1409 OF VERY ELONGATED PARTICLES},
1410 journal = {Physica A},
1411 year = 1992,
1412 volume = 191,
1413 pages = {248-252}
1414 }
1415
1416 @Article{Dobson1987,
1417 author = {B.~W. Dobson},
1418 title = {unknown},
1419 journal = prb,
1420 year = 1987,
1421 volume = 36,
1422 pages = 1068
1423 }
1424
1425 @Article{Boyer1995,
1426 author = {D. Boyer and P. Viot and G. Tarjus and J. Talbot},
1427 title = {PERCUS-YEVICK-LIKE INTERGRAL EQUATION FOR RANDOM SEQUENTIAL
1428 ADSORPTION},
1429 journal = jcp,
1430 year = 1995,
1431 volume = 103,
1432 pages = 1607
1433 }
1434
1435 @Article{Viot1992c,
1436 author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1437 title = {SATURATION COVERAGE OF HIGHLY ELONGATED ANISOTROPIC
1438 PARTICLES},
1439 journal = {Physica A},
1440 year = 1992,
1441 volume = 191,
1442 pages = {248-252}
1443 }
1444
1445 @Article{Ricci1994,
1446 author = {S.~M. Ricci and J. Talbot and G. Tarjus and P. Viot},
1447 title = {A STRUCTURAL COMPARISON OF RANDOM SEQUENTIAL ADSORPTION AND
1448 EQUILIBRIUM CONFIGURATIONS OF SPHEROCYLINDERS},
1449 journal = jcp,
1450 year = 1994,
1451 volume = 101,
1452 pages = 9164
1453 }
1454
1455 @Article{Semmler1998,
1456 author = {M. Semmler and E.~K. Mann and J. Ricka and M. Borkovec},
1457 title = {Diffusional Deposition of Charged Latex Particles on
1458 Water-Solid Interfaces at Low Ionic Strength},
1459 journal = {Langmuir},
1460 year = 1998,
1461 volume = 14,
1462 pages = {5127-5132}
1463 }
1464
1465 @Article{Solomon1986,
1466 author = {H. Solomon and H. Weiner},
1467 title = {A REVIEW OF THE PACKING PROBLEM},
1468 journal = {Comm. Statistics A},
1469 year = 1986,
1470 volume = 15,
1471 pages = {2571-2607}
1472 }
1473
1474 @Article{Bonnier1993,
1475 author = {B. Bonnier and M. Hontebeyrie and C. Meyers},
1476 title = {ON THE RANDOM FILLING OF R(D) BY NONOVERLAPPING
1477 D-DIMENSIONAL CUBES},
1478 journal = {Physica A},
1479 year = 1993,
1480 volume = 198,
1481 pages = {1-10}
1482 }
1483
1484 @Book{Frenkel1996,
1485 author = {D. Frenkel and B. Smit},
1486 title = {Understanding Molecular Simulation : From Algorithms
1487 to Applications},
1488 publisher = {Academic Press},
1489 year = 1996,
1490 address = {New York}
1491
1492
1493 }
1494
1495 @Article{Dullweber1997,
1496 author = {A. Dullweber and B. Leimkuhler and R. McLachlan},
1497 title = {Symplectic splitting methods for rigid body molecular
1498 dynamics},
1499 journal = jcp,
1500 year = 1997,
1501 volume = 107,
1502 number = 15,
1503 pages = {5840-5851}
1504 }
1505
1506 @Article{Siepmann1998,
1507 author = {M. Martin and J.~I. Siepmann},
1508 title = {Transferable Potentials for Phase Equilibria. 1. United-Atom
1509 Description of n-Alkanes},
1510 journal = jpcB,
1511 year = 1998,
1512 volume = 102,
1513 pages = {2569-2577}
1514 }
1515
1516 @Article{Marrink01,
1517 author = {S.~J. Marrink and E. Lindahl and O. Edholm and A.~E. Mark},
1518 title = {Simulations of the Spontaneous Aggregation of Phospholipids
1519 into Bilayers},
1520 journal = jacs,
1521 year = 2001,
1522 volume = 123,
1523 pages = {8638-8639}
1524 }
1525
1526 @Article{liu96:new_model,
1527 author = {Y. Liu and T. Ichiye},
1528 title = {Soft sticky dipole potential for liquid water: a new model},
1529 journal = jpc,
1530 year = 1996,
1531 volume = 100,
1532 pages = {2723-2730}
1533 }
1534
1535 @Article{liu96:monte_carlo,
1536 author = {Y. Liu and T. Ichiye},
1537 title = {The static dielectric constant of the soft sticky dipole model of liquid water: Monte Carlo simulation},
1538 journal = {Chemical Physics Letters},
1539 year = 1996,
1540 volume = 256,
1541 pages = {334-340}
1542 }
1543
1544 @Article{chandra99:ssd_md,
1545 author = {A. Chandra and T. Ichiye},
1546 title = {Dynamical properties of the soft sticky dipole model of water: Molecular dynamics simulation},
1547 journal = {Journal of Chemical Physics},
1548 year = 1999,
1549 volume = 111,
1550 number = 6,
1551 pages = {2701-2709}
1552 }
1553
1554 @Book{allen87:csl,
1555 author = {M.~P. Allen and D.~J. Tildesley},
1556 title = {Computer Simulations of Liquids},
1557 publisher = {Oxford University Press},
1558 year = 1987,
1559 address = {New York}
1560 }
1561
1562 @Book{leach01:mm,
1563 author = {A. Leach},
1564 title = {Molecular Modeling: Principles and Applications},
1565 publisher = {Pearson Educated Limited},
1566 year = 2001,
1567 address = {Harlow, England},
1568 edition = {2nd}
1569 }
1570
1571
1572 @Article{katsaras00,
1573 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},
1574 title = {Clarification of the ripple phase of lecithin bilayers using fully hydrated, aligned samples},
1575 journal = {Physical Review E},
1576 year = 2000,
1577 volume = 61,
1578 number = 5,
1579 pages = {5668-5677}
1580 }
1581
1582 @Article{sengupta00,
1583 author = {K. Sengupta and V.~A. Raghunathan and J. Katsaras},
1584 title = {Novel structural Features of the ripple phase of phospholipids},
1585 journal = {Europhysics Letters},
1586 year = 2000,
1587 volume = 49,
1588 number = 6,
1589 pages = {722-728}
1590 }
1591
1592 @Article{venable00,
1593 author = {R.~M. Venable and B.~R. Brooks and R.~W. Pastor},
1594 title = {MOlecular dynamics simulations of gel ($L_{\betaI}$) phase lipid bilayers in constant pressure and constant surface area ensembles},
1595 journal = jcp,
1596 year = 2000,
1597 volume = 112,
1598 number = 10,
1599 pages = {4822-4832}
1600 }
1601
1602 @Article{lindahl00,
1603 author = {E. Lindahl and O. Edholm},
1604 title = {Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamicxs simulations},
1605 journal = {Biophysical Journal},
1606 year = 2000,
1607 volume = 79,
1608 pages = {426-433},
1609 month = {July}
1610 }
1611
1612
1613 @Article{saiz02,
1614 author = {L. Saiz and M. Klein},
1615 title = {Electrostatic interactions in a neutral model phospholipid bilayer by molecular dynamics simulations},
1616 journal = jcp,
1617 year = 2002,
1618 volume = 116,
1619 number = 7,
1620 pages = {3052-3057}
1621 }
1622
1623 @Article{stevens95,
1624 author = {M.~J. Stevens and G.~S. Grest},
1625 title = {Phase coexistence of a Stockmayer fluid in an aplied field},
1626 journal = {Physical Review E},
1627 year = 1995,
1628 volume = 51,
1629 number = 6,
1630 pages = {5976-5983}
1631 }
1632
1633 @Article{darden93:pme,
1634 author = {T. Darden and D. York and L. Pedersen},
1635 title = {Particle mesh Ewald: An $N \log N$ method for Ewald sums in large systems},
1636 journal = {Journal of Chemical Physics},
1637 year = 1993,
1638 volume = 98,
1639 number = 12,
1640 pages = {10089-10092}
1641 }
1642
1643
1644
1645 @Article{goetz98,
1646 author = {R. Goetz and R. Lipowsky},
1647 title = {Computer simulations of bilayer membranes: Self-assembly and interfacial tension},
1648 journal = {Journal of Chemical Physics},
1649 year = 1998,
1650 volume = 108,
1651 number = 17,
1652 pages = 7397
1653 }
1654
1655 @Article{marrink01:undulation,
1656 author = {S.~J. Marrink and A.~E. Mark},
1657 title = {Effect of undulations on surface tension in simulated bilayers},
1658 journal = {Journal of Physical Chemistry B},
1659 year = 2001,
1660 volume = 105,
1661 pages = {6122-6127}
1662 }
1663
1664 @Article{lindahl00:undulation,
1665 author = {E. Lindahl and O. Edholm},
1666 title = {Mesoscopic undulation and thickness fluctuations in lipid bilayers from molecular dynamics simulation},
1667 journal = {Biophysical Journal},
1668 year = 2000,
1669 volume = 79,
1670 pages = {426-433}
1671 }
1672
1673 @Article{charmm1983,
1674 author = {Bernard R.~Brooks and Robert E.~Bruccoleri and Barry D.~Olafson and David J.~Stiles and S. Swaminathan and Martin Karplus},
1675 title = {CHARMM: A program for Macromolecular Energy, Minimization, and Dynamics Calculations},
1676 journal = {J. Comp. Chem.},
1677 year = 1983,
1678 volume = 4,
1679 number = 2,
1680 pages = {187-217}
1681 }
1682
1683 @Article{Ichiye03,
1684 author = {M.-L. Tan and J.~T. Fischer and A. Chandra and B.~R. Brooks
1685 and T. Ichiye},
1686 title = {A temperature of maximum density in soft sticky dipole
1687 water},
1688 journal = cpl,
1689 year = 2003,
1690 volume = 376,
1691 pages = {646-652},
1692 }
1693
1694
1695 @Article{Gezelter04,
1696 author = {C.~J. Fennell and J.~D. Gezelter},
1697 title = {On the temperature dependent properties of the soft sticky
1698 dipole (SSD) and related single point water models},
1699 journal = {Submitted for Publication},
1700 year = 2004,
1701 volume = 00,
1702 pages = {0000-0001},
1703 }
1704
1705 @Article{Bratko85,
1706 author = {D. Bratko and L. Blum and A. Luzar},
1707 title = {A simple model for the intermolecular potential of water},
1708 journal = jcp,
1709 year = 1985,
1710 volume = 83,
1711 number = 12,
1712 pages = {6367-6370}
1713 }
1714
1715 @Article{Bratko95,
1716 author = {L. Blum and F. Vericat and D. Bratko},
1717 title = {Towards an analytical model of water: The octupolar model},
1718 journal = jcp,
1719 year = 1995,
1720 volume = 102,
1721 number = 3,
1722 pages = {1461-1462}
1723 }
1724
1725 @Article{Laird97,
1726 author = {A. Kol and B.~B. Laird and B.~J. Leimkuhler},
1727 title = {A symplectic method for rigid-body molecular simulation},
1728 journal = jcp,
1729 year = 1997,
1730 volume = 107,
1731 number = 7,
1732 pages = {2580-2588}
1733 }
1734
1735 @Article{Marrink94,
1736 author = {S.~J Marrink and H.~J.~C. Berendsen},
1737 title = {Simulation of water transport through a lipid membrane},
1738 journal = jpc,
1739 year = 1994,
1740 volume = 98,
1741 number = 15,
1742 pages = {4155-4168}
1743 }
1744
1745 @Article{McKinnon92,
1746 author = {S.~J McKinnon and S.~L Whittenburg and B. Brooks},
1747 title = {Nonequilibrium molecular dynamics simulation of oxygen
1748 diffusion through hexadecane monolayers with varying
1749 concentrations of cholesterol},
1750 journal = jpc,
1751 year = 1992,
1752 volume = 96,
1753 number = 15,
1754 pages = {10497-10506}
1755 }
1756
1757 @Article{Roux91,
1758 author = {B. Roux and M. Karplus},
1759 title = {Ion transport in a Gramicidn-like channel: dynamics and mobility},
1760 journal = jpc,
1761 year = 1991,
1762 volume = 95,
1763 number = 15,
1764 pages = {4856-4868}
1765 }
1766
1767 @Book{Goldstein01,
1768 author = {H. Goldstein and C. Poole and J. Safko},
1769 title = {Classical Mechanics},
1770 publisher = {Addison Wesley},
1771 year = 2001,
1772 address = {San Francisco},
1773 edition = {3rd}
1774 }
1775
1776
1777 @Article{Soper86,
1778 author = {A.~K. Soper and M.~G. Phillips},
1779 title = {A new determination of the structure of water at 298K},
1780 journal = cp,
1781 year = 1986,
1782 volume = 107,
1783 number = 1,
1784 pages = {47-60},
1785 }