18 |
|
|
19 |
|
@string{mp = {Mol. Phys.}} |
20 |
|
|
21 |
+ |
@string{jcp = {J. Chem. Phys.}} |
22 |
+ |
@string{prl = {Phys. Rev. Lett.}} |
23 |
|
|
24 |
|
@article{Perram88, |
25 |
|
Author = {J.~W. Perram and H.~G. Petersen and S.~W. {de Leeuw}}, |
26 |
|
Date-Added = {2014-06-06 15:36:28 +0000}, |
27 |
|
Date-Modified = {2014-06-06 15:36:28 +0000}, |
28 |
< |
Journal = {Mol. Phys.}, |
28 |
> |
Journal = mp, |
29 |
|
Pages = {875-893}, |
30 |
|
Title = {An algorithm for the simulation of condensed matter that grows as the 3/2 power of the number of particles}, |
31 |
|
Volume = {65}, |
47 |
|
Date-Added = {2014-06-04 18:33:25 +0000}, |
48 |
|
Date-Modified = {2014-06-04 18:33:25 +0000}, |
49 |
|
Doi = {10.1143/PTP.24.432}, |
48 |
– |
Eprint = {http://ptp.oxfordjournals.org/content/24/2/432.full.pdf+html}, |
50 |
|
Journal = {Progress of Theoretical Physics}, |
51 |
|
Number = {2}, |
52 |
|
Pages = {432-454}, |
62 |
|
Date-Added = {2014-06-04 18:33:25 +0000}, |
63 |
|
Date-Modified = {2014-06-04 18:33:25 +0000}, |
64 |
|
Doi = {10.1143/PTP.30.412a}, |
64 |
– |
Eprint = {http://ptp.oxfordjournals.org/content/30/3/412.1.full.pdf+html}, |
65 |
|
Journal = {Progress of Theoretical Physics}, |
66 |
|
Number = {3}, |
67 |
|
Pages = {412}, |
164 |
|
Date = {MAR 28 2008}, |
165 |
|
Date-Added = {2014-06-04 15:12:54 +0000}, |
166 |
|
Date-Modified = {2014-06-04 15:12:54 +0000}, |
167 |
< |
Doi = {ARTN 124109}, |
167 |
> |
eid = {124109}, |
168 |
> |
pages = {-}, |
169 |
|
Journal = jcp, |
170 |
|
Publisher = {AMER INST PHYSICS}, |
171 |
|
Timescited = {0}, |
181 |
|
Date = {SEP 1 2006}, |
182 |
|
Date-Added = {2014-06-04 15:12:54 +0000}, |
183 |
|
Date-Modified = {2014-06-04 15:12:54 +0000}, |
184 |
< |
Doi = {ARTN 097801}, |
184 |
> |
eid = {097801}, |
185 |
> |
pages={-}, |
186 |
|
Journal = prl, |
187 |
|
Publisher = {AMERICAN PHYSICAL SOC}, |
188 |
|
Timescited = {1}, |
235 |
|
Date-Added = {2014-06-04 13:47:47 +0000}, |
236 |
|
Date-Modified = {2014-06-04 13:47:47 +0000}, |
237 |
|
Doi = {10.1021/jp0484332}, |
238 |
< |
Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp0484332}, |
237 |
< |
Journal = {The Journal of Physical Chemistry B}, |
238 |
> |
Journal = jpcb, |
239 |
|
Number = {35}, |
240 |
|
Pages = {13427-13437}, |
241 |
|
Title = {Temperature and Pressure Dependence of the AMOEBA Water Model}, |
250 |
|
Date-Added = {2014-06-04 13:47:15 +0000}, |
251 |
|
Date-Modified = {2014-06-04 13:58:58 +0000}, |
252 |
|
Doi = {10.1021/jp027815+}, |
253 |
< |
Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp027815\%2B}, |
253 |
< |
Journal = {The Journal of Physical Chemistry B}, |
253 |
> |
Journal = jpcb, |
254 |
|
Number = {24}, |
255 |
|
Pages = {5933-5947}, |
256 |
|
Title = {Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation}, |
265 |
|
Date-Added = {2014-06-04 13:44:11 +0000}, |
266 |
|
Date-Modified = {2014-06-04 13:44:11 +0000}, |
267 |
|
Doi = {10.1021/jp403802c}, |
268 |
< |
Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp403802c}, |
269 |
< |
Journal = {The Journal of Physical Chemistry B}, |
268 |
> |
Journal = jpcb, |
269 |
|
Number = {34}, |
270 |
|
Pages = {9956-9972}, |
271 |
|
Title = {Systematic Improvement of a Classical Molecular Model of Water}, |
331 |
|
Date-Added = {2014-05-20 17:33:26 +0000}, |
332 |
|
Date-Modified = {2014-05-20 17:33:26 +0000}, |
333 |
|
Doi = {http://dx.doi.org/10.1063/1.470117}, |
334 |
< |
Journal = {The Journal of Chemical Physics}, |
334 |
> |
Journal = jcp, |
335 |
|
Number = {19}, |
336 |
|
Pages = {8577-8593}, |
337 |
|
Title = {A smooth particle mesh Ewald method}, |
346 |
|
Date-Added = {2014-05-20 17:32:49 +0000}, |
347 |
|
Date-Modified = {2014-05-20 17:32:49 +0000}, |
348 |
|
Doi = {10.1021/jp910674d}, |
349 |
< |
Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp910674d}, |
351 |
< |
Journal = {The Journal of Physical Chemistry B}, |
349 |
> |
Journal = jpcb, |
350 |
|
Note = {PMID: 20136072}, |
351 |
|
Number = {8}, |
352 |
|
Pages = {2549-2564}, |
362 |
|
Date-Added = {2014-05-20 17:32:27 +0000}, |
363 |
|
Date-Modified = {2014-05-20 17:32:27 +0000}, |
364 |
|
Doi = {http://dx.doi.org/10.1063/1.474295}, |
365 |
< |
Journal = {The Journal of Chemical Physics}, |
365 |
> |
Journal = jcp, |
366 |
|
Number = {16}, |
367 |
|
Pages = {6342-6348}, |
368 |
|
Title = {Effect of electrostatic boundary conditions and system size on the interfacial properties of water and aqueous solutions}, |
377 |
|
Date-Added = {2014-05-20 17:31:47 +0000}, |
378 |
|
Date-Modified = {2014-05-20 17:31:47 +0000}, |
379 |
|
Doi = {10.1021/la400226g}, |
382 |
– |
Eprint = {http://pubs.acs.org/doi/pdf/10.1021/la400226g}, |
380 |
|
Journal = {Langmuir}, |
381 |
|
Number = {18}, |
382 |
|
Pages = {5563-5572}, |
392 |
|
Date-Added = {2014-05-20 17:31:28 +0000}, |
393 |
|
Date-Modified = {2014-05-20 17:31:28 +0000}, |
394 |
|
Doi = {10.1021/jp025949h}, |
395 |
< |
Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp025949h}, |
399 |
< |
Journal = {The Journal of Physical Chemistry B}, |
395 |
> |
Journal = jpcb, |
396 |
|
Number = {41}, |
397 |
|
Pages = {10725-10732}, |
398 |
|
Title = {Enhancement of the Wolf Damped Coulomb Potential: Static, Dynamic, and Dielectric Properties of Liquid Water from Molecular Simulation}, |
425 |
|
Date-Added = {2014-05-20 17:29:25 +0000}, |
426 |
|
Date-Modified = {2014-05-20 17:29:25 +0000}, |
427 |
|
Doi = {http://dx.doi.org/10.1063/1.479595}, |
428 |
< |
Journal = {The Journal of Chemical Physics}, |
428 |
> |
Journal = jcp, |
429 |
|
Number = {7}, |
430 |
|
Pages = {3155-3162}, |
431 |
|
Title = {Ewald summation for systems with slab geometry}, |
440 |
|
Date-Added = {2014-05-20 17:28:54 +0000}, |
441 |
|
Date-Modified = {2014-05-20 17:28:54 +0000}, |
442 |
|
Doi = {http://dx.doi.org/10.1063/1.478738}, |
443 |
< |
Journal = {The Journal of Chemical Physics}, |
443 |
> |
Journal = jcp, |
444 |
|
Number = {17}, |
445 |
|
Pages = {8254-8282}, |
446 |
|
Title = {Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r−1 summation}, |
456 |
|
Date-Modified = {2014-05-20 17:28:19 +0000}, |
457 |
|
Doi = {http://dx.doi.org/10.1063/1.4730167}, |
458 |
|
Eid = 244704, |
459 |
< |
Journal = {The Journal of Chemical Physics}, |
459 |
> |
Journal = jcp, |
460 |
|
Number = {24}, |
461 |
|
Pages = {-}, |
462 |
|
Title = {Interfacial slip friction at a fluid-solid cylindrical boundary}, |
472 |
|
Date-Modified = {2014-05-20 17:27:55 +0000}, |
473 |
|
Doi = {http://dx.doi.org/10.1063/1.2206581}, |
474 |
|
Eid = 234104, |
475 |
< |
Journal = {The Journal of Chemical Physics}, |
475 |
> |
Journal = jcp, |
476 |
|
Number = {23}, |
477 |
|
Pages = {-}, |
478 |
|
Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics}, |
487 |
|
Date-Added = {2014-05-20 17:27:18 +0000}, |
488 |
|
Date-Modified = {2014-05-20 17:27:18 +0000}, |
489 |
|
Doi = {http://dx.doi.org/10.1063/1.464397}, |
490 |
< |
Journal = {The Journal of Chemical Physics}, |
490 |
> |
Journal = jcp, |
491 |
|
Number = {12}, |
492 |
|
Pages = {10089-10092}, |
493 |
|
Title = {Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems}, |
502 |
|
Date-Added = {2014-05-20 17:26:40 +0000}, |
503 |
|
Date-Modified = {2014-05-20 17:26:40 +0000}, |
504 |
|
Doi = {http://dx.doi.org/10.1063/1.450391}, |
505 |
< |
Journal = {The Journal of Chemical Physics}, |
505 |
> |
Journal = jcp, |
506 |
|
Number = {4}, |
507 |
|
Pages = {2290-2294}, |
508 |
|
Title = {Short range effective potentials for ionic fluids}, |
518 |
|
Date-Modified = {2014-05-20 17:25:01 +0000}, |
519 |
|
Doi = {http://dx.doi.org/10.1063/1.4827055}, |
520 |
|
Eid = 174107, |
521 |
< |
Journal = {The Journal of Chemical Physics}, |
521 |
> |
Journal = jcp, |
522 |
|
Number = {17}, |
523 |
|
Pages = {-}, |
524 |
|
Title = {Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system}, |
528 |
|
Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/139/17/10.1063/1.4827055}, |
529 |
|
Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4827055}} |
530 |
|
|
531 |
< |
@article{Woodcock75, |
532 |
< |
Author = {Woodcock, LV}, |
533 |
< |
Journal = {Vol. 3Plenum, New York}, |
534 |
< |
Pages = {1}, |
535 |
< |
Title = {Advances in molten salt chemistry}, |
536 |
< |
Year = {1975}} |
531 |
> |
@incollection{Woodcock75, |
532 |
> |
year={1975}, |
533 |
> |
isbn={978-1-4615-8272-4}, |
534 |
> |
booktitle={Advances in Molten Salt Chemistry}, |
535 |
> |
editor={Braunstein, J. and Mamantov, Gleb and Smith, G.P.}, |
536 |
> |
doi={10.1007/978-1-4615-8270-0_1}, |
537 |
> |
title={Molecular Dynamics Calculations on Molten Ionic Salts}, |
538 |
> |
url={http://dx.doi.org/10.1007/978-1-4615-8270-0_1}, |
539 |
> |
publisher={Springer US}, |
540 |
> |
author={Woodcock, L.V.}, |
541 |
> |
pages={1-74}, |
542 |
> |
language={English} |
543 |
> |
} |
544 |
|
|
542 |
– |
@article{Takada93, |
543 |
– |
Author = {Shimada, Jiro and Kaneko, Hiroki and Takada, Toshikazu}, |
544 |
– |
Journal = {Journal of computational chemistry}, |
545 |
– |
Number = {7}, |
546 |
– |
Pages = {867--878}, |
547 |
– |
Publisher = {Wiley Online Library}, |
548 |
– |
Title = {Efficient calculations of Coulombic interactions in biomolecular simulations with periodic boundary conditions}, |
549 |
– |
Volume = {14}, |
550 |
– |
Year = {1993}} |
545 |
|
|
546 |
+ |
@article {Takada94, |
547 |
+ |
author = {Shimada, Jiro and Kaneko, Hiroki and Takada, Toshikazu}, |
548 |
+ |
title = {Performance of fast multipole methods for calculating electrostatic interactions in biomacromolecular simulations}, |
549 |
+ |
journal = {Journal of Computational Chemistry}, |
550 |
+ |
volume = {15}, |
551 |
+ |
number = {1}, |
552 |
+ |
publisher = {John Wiley & Sons, Inc.}, |
553 |
+ |
issn = {1096-987X}, |
554 |
+ |
url = {http://dx.doi.org/10.1002/jcc.540150105}, |
555 |
+ |
doi = {10.1002/jcc.540150105}, |
556 |
+ |
pages = {28--43}, |
557 |
+ |
year = {1994}, |
558 |
+ |
} |
559 |
+ |
|
560 |
+ |
@article {Takada93, |
561 |
+ |
author = {Shimada, Jiro and Kaneko, Hiroki and Takada, Toshikazu}, |
562 |
+ |
title = {Efficient calculations of coulombic interactions in biomolecular simulations with periodic boundary conditions}, |
563 |
+ |
journal = {J. Comp. Chem.}, |
564 |
+ |
volume = {14}, |
565 |
+ |
number = {7}, |
566 |
+ |
publisher = {John Wiley & Sons, Inc.}, |
567 |
+ |
issn = {1096-987X}, |
568 |
+ |
url = {http://dx.doi.org/10.1002/jcc.540140712}, |
569 |
+ |
doi = {10.1002/jcc.540140712}, |
570 |
+ |
pages = {867--878}, |
571 |
+ |
year = {1993}, |
572 |
+ |
} |
573 |
+ |
|
574 |
+ |
|
575 |
|
@article{Gunsteren94, |
576 |
< |
Author = {Luty, Brock A and Davis, Malcolm E and Tironi, Ilario G and Van Gunsteren, Wilfred F}, |
577 |
< |
Journal = {Molecular Simulation}, |
578 |
< |
Number = {1}, |
579 |
< |
Pages = {11--20}, |
580 |
< |
Publisher = {Taylor \& Francis}, |
581 |
< |
Title = {A comparison of particle-particle, particle-mesh and Ewald methods for calculating electrostatic interactions in periodic molecular systems}, |
582 |
< |
Volume = {14}, |
583 |
< |
Year = {1994}} |
576 |
> |
author = {Luty, Brock A. and Davis, Malcolm E. and Tironi, Ilario G. and Van Gunsteren, Wilfred F.}, |
577 |
> |
title = {A Comparison of Particle-Particle, Particle-Mesh and Ewald Methods for Calculating Electrostatic Interactions in Periodic Molecular Systems}, |
578 |
> |
journal = {Mol. Simul.}, |
579 |
> |
volume = {14}, |
580 |
> |
number = {1}, |
581 |
> |
pages = {11-20}, |
582 |
> |
year = {1994}, |
583 |
> |
doi = {10.1080/08927029408022004}, |
584 |
> |
URL = {http://dx.doi.org/10.1080/08927029408022004}, |
585 |
> |
} |
586 |
|
|
587 |
|
@article{Gunsteren95, |
588 |
< |
Author = {Luty, Brock A and Tironi, Ilario G and van Gunsteren, Wilfred F}, |
589 |
< |
Journal = {The Journal of chemical physics}, |
590 |
< |
Number = {8}, |
591 |
< |
Pages = {3014--3021}, |
592 |
< |
Publisher = {AIP Publishing}, |
593 |
< |
Title = {Lattice-sum methods for calculating electrostatic interactions in molecular simulations}, |
594 |
< |
Volume = {103}, |
595 |
< |
Year = {1995}} |
588 |
> |
author = "Luty, Brock A. and Tironi, Ilario G. and van Gunsteren, Wilfred F.", |
589 |
> |
title = "Lattice‐sum methods for calculating electrostatic interactions in molecular simulations", |
590 |
> |
journal = jcp, |
591 |
> |
year = "1995", |
592 |
> |
volume = "103", |
593 |
> |
number = "8", |
594 |
> |
pages = "3014-3021", |
595 |
> |
url = "http://scitation.aip.org/content/aip/journal/jcp/103/8/10.1063/1.470490", |
596 |
> |
doi = "http://dx.doi.org/10.1063/1.470490" |
597 |
> |
} |
598 |
|
|
599 |
< |
@article{Clarke77, |
600 |
< |
Author = {Heyes, David M and Barber, M and Clarke, JHR}, |
601 |
< |
Journal = {Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics}, |
602 |
< |
Number = {7}, |
603 |
< |
Pages = {1485--1496}, |
604 |
< |
Publisher = {Royal Society of Chemistry}, |
605 |
< |
Title = {Molecular dynamics computer simulation of surface properties of crystalline potassium chloride}, |
606 |
< |
Volume = {73}, |
607 |
< |
Year = {1977}} |
599 |
> |
@Article{Clarke77, |
600 |
> |
author ="Heyes, D. M. and Barber, M. and Clarke, J. H. R.", |
601 |
> |
title ="Molecular dynamics computer simulation of surface properties of crystalline potassium chloride", |
602 |
> |
journal ="J. Chem. Soc.{,} Faraday Trans. 2", |
603 |
> |
year ="1977", |
604 |
> |
volume ="73", |
605 |
> |
issue ="7", |
606 |
> |
pages ="1485-1496", |
607 |
> |
publisher ="The Royal Society of Chemistry", |
608 |
> |
doi ="10.1039/F29777301485", |
609 |
> |
url ="http://dx.doi.org/10.1039/F29777301485", |
610 |
> |
abstract ="Computer simulation of the (100) face of crystalline potassium chloride has been achieved using the method of molecular dynamics and a lamina model of thickness 10 ionic layers. The basic cell contained 360 ions{,} interacting via a Tosi-Fumi potential. A solution has been obtained for the long range correction to the Coulomb potential for an ionic lamina. This differs significantly from the solution for a 3-dimensional lattice.Surface distortion{,} surface energy and stress have been evaluated and agree well with experiment and previous model calculations. The ratios of surface mean square amplitudes of vibration perpendicular to the surface divided by the bulk values show an approximately 25\% anharmonic enhancement over previous calculations. The layerwise velocity autocorrelation functions yield power spectra featuring a peak for the surface mono-layer at 75 cm which compares favourably with the frequency of surface acoustic modes predicted by previous calculations."} |
611 |
|
|
612 |
|
@article{Perram79, |
613 |
|
Author = {De Leeuw, Simon W and Perram, John W}, |
614 |
< |
Journal = {Molecular Physics}, |
614 |
> |
Journal = mp, |
615 |
|
Number = {4}, |
616 |
|
Pages = {1313--1322}, |
617 |
|
Publisher = {Taylor \& Francis}, |
619 |
|
Volume = {37}, |
620 |
|
Year = {1979}} |
621 |
|
|
622 |
+ |
@article{Smith80, |
623 |
+ |
author = {{de Leeuw}, S. W. and Perram, J. W. and Smith, E. R.}, |
624 |
+ |
title = {Simulation of Electrostatic Systems in Periodic Boundary Conditions. I. Lattice Sums and Dielectric Constants}, |
625 |
+ |
volume = {373}, |
626 |
+ |
number = {1752}, |
627 |
+ |
pages = {27-56}, |
628 |
+ |
year = {1980}, |
629 |
+ |
doi = {10.1098/rspa.1980.0135}, |
630 |
+ |
abstract ={The effective interactions of ions, dipoles and higher-order multipoles under periodic boundary conditions are calculated where the array of periodic replications forms an infinite sphere surrounded by a vacuum. Discrepancies between the results of different methods of calculation are resolved and some shape-dependent effects are discussed briefly. In a simulation under these periodic boundary conditions, the net Hamiltonian contains a positive term proportional to the square of the net dipole moment of the configuration. Surrounding the infinite sphere by a continuum of dielectric constant $\epsilon'$ changes this positive term, the coefficient being zero as $\epsilon'\rightarrow\infty$. We report on the simulation of a dense fluid of hard spheres with embedded point dipoles; simulations are made for different values of $\epsilon'$, showing how the Kirkwood g-factor and the long-range part of h$_\Delta$(r) depend on $\epsilon'$ in a finite simulation. We show how this dependence on $\epsilon'$ nonetheless leads to a dielectric constant for the system that is independent of $\epsilon'$. In particular, the Clausius-Mosotti and Kirkwood formulae for the dielectric constant $\epsilon$ of the system give consistent values.}, |
631 |
+ |
URL = {http://rspa.royalsocietypublishing.org/content/373/1752/27.abstract}, |
632 |
+ |
journal = {Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences} |
633 |
+ |
} |
634 |
+ |
|
635 |
|
@article{Wolf92, |
636 |
|
Author = {Wolf, Dieter}, |
637 |
< |
Journal = {Physical review letters}, |
637 |
> |
Journal = prl, |
638 |
|
Number = {22}, |
639 |
|
Pages = {3315--3318}, |
640 |
|
Title = {Reconstruction of NaCl surfaces from a dipolar solution to the Madelung problem}, |
643 |
|
|
644 |
|
@article{Acevedo13, |
645 |
|
Author = {McCann, Billy W and Acevedo, Orlando}, |
646 |
< |
Journal = {Journal of Chemical Theory and Computation}, |
646 |
> |
Journal = jctc, |
647 |
|
Number = {2}, |
648 |
|
Pages = {944--950}, |
649 |
|
Publisher = {American Chemical Society}, |
653 |
|
|
654 |
|
@article{Space12, |
655 |
|
Author = {Forrest, Katherine A and Pham, Tony and McLaughlin, Keith and Belof, Jonathan L and Stern, Abraham C and Zaworotko, Michael J and Space, Brian}, |
656 |
< |
Journal = {The Journal of Physical Chemistry C}, |
656 |
> |
Journal = jpcc, |
657 |
|
Number = {29}, |
658 |
|
Pages = {15538--15549}, |
659 |
|
Publisher = {ACS Publications}, |
663 |
|
|
664 |
|
@article{English08, |
665 |
|
Author = {English, Niall J}, |
666 |
< |
Journal = {Molecular Physics}, |
666 |
> |
Journal = mp, |
667 |
|
Number = {15}, |
668 |
|
Pages = {1887--1898}, |
669 |
|
Publisher = {Taylor \& Francis}, |
680 |
|
Volume = {349}, |
681 |
|
Year = {2013}} |
682 |
|
|
683 |
< |
@inproceedings{Vergne13, |
684 |
< |
Author = {Tokumasu, Takashi and Meurisse, Marie-H{\'e}l{\`e}ne and Fillot, Nicolas and Vergne, Philippe and others}, |
685 |
< |
Booktitle = {tribo-lyon2013 Conference}, |
686 |
< |
Title = {Molecular Dynamics Study of Lubrication Phenomena of Nanoscale Liquid Bridge between Surfaces}, |
687 |
< |
Year = {2013}} |
683 |
> |
@article{Vergne13, |
684 |
> |
title = "A molecular dynamics study of a nanoscale liquid bridge under shear ", |
685 |
> |
journal = "Tribology International ", |
686 |
> |
volume = "59", |
687 |
> |
number = "0", |
688 |
> |
pages = "10 - 16", |
689 |
> |
year = "2013", |
690 |
> |
issn = "0301-679X", |
691 |
> |
doi = "http://dx.doi.org/10.1016/j.triboint.2012.08.009", |
692 |
> |
url = "http://www.sciencedirect.com/science/article/pii/S0301679X12002812", |
693 |
> |
author = "Takashi Tokumasu and Marie-Helene Meurisse and Nicolas Fillot and Philippe Vergne", |
694 |
> |
keywords = "Liquid bridge", |
695 |
> |
keywords = "Molecular dynamics", |
696 |
> |
keywords = "Momentum transport " |
697 |
> |
} |
698 |
|
|
699 |
+ |
|
700 |
|
@article{Ren06, |
701 |
|
Author = {Golubkov, Pavel A and Ren, Pengyu}, |
702 |
< |
Journal = {The Journal of chemical physics}, |
702 |
> |
Journal = jcp, |
703 |
|
Number = {6}, |
704 |
|
Pages = {064103}, |
705 |
|
Publisher = {AIP Publishing}, |
729 |
|
|
730 |
|
@article{Ichiye10_1, |
731 |
|
Author = {Te, Jerez A and Tan, Ming-Liang and Ichiye, Toshiko}, |
732 |
< |
Journal = {Chemical physics letters}, |
732 |
> |
Journal = cpl, |
733 |
|
Number = {4}, |
734 |
|
Pages = {218--223}, |
735 |
|
Publisher = {Elsevier}, |
739 |
|
|
740 |
|
@article{Ichiye10_2, |
741 |
|
Author = {Te, Jerez A and Ichiye, Toshiko}, |
742 |
< |
Journal = {The Journal of chemical physics}, |
742 |
> |
Journal = jcp, |
743 |
|
Number = {11}, |
744 |
|
Pages = {114511}, |
745 |
|
Publisher = {AIP Publishing}, |
749 |
|
|
750 |
|
@article{Ichiye10_3, |
751 |
|
Author = {Te, Jerez A and Ichiye, Toshiko}, |
752 |
< |
Journal = {Chemical physics letters}, |
752 |
> |
Journal = cpl, |
753 |
|
Number = {4}, |
754 |
|
Pages = {219--225}, |
755 |
|
Publisher = {Elsevier}, |
759 |
|
|
760 |
|
@article{Gordon07, |
761 |
|
Author = {Schnieders, Michael J and Baker, Nathan A and Ren, Pengyu and Ponder, Jay W}, |
762 |
< |
Journal = {The Journal of chemical physics}, |
762 |
> |
Journal = jcp, |
763 |
|
Number = {12}, |
764 |
|
Pages = {124114}, |
765 |
|
Publisher = {AIP Publishing}, |
767 |
|
Volume = {126}, |
768 |
|
Year = {2007}} |
769 |
|
|
716 |
– |
@article{Smith80, |
717 |
– |
Abstract = {Modern standard reference for the Ewald sum.}, |
718 |
– |
Added-At = {2007-06-15T17:33:15.000+0200}, |
719 |
– |
Author = {{de Leeuw}, Simon W. and Perram, John W. and Smith, E. R.}, |
720 |
– |
Biburl = {http://www.bibsonomy.org/bibtex/28ddf5ac6538eb4a6426790403f7c193f/kaigrass}, |
721 |
– |
Interhash = {f6d7bd194ef65c5f7142d93eef865ea1}, |
722 |
– |
Intrahash = {8ddf5ac6538eb4a6426790403f7c193f}, |
723 |
– |
Journal = {Proc. R. Soc. Lond. A}, |
724 |
– |
Keywords = {Ewald correction dipole sum,}, |
725 |
– |
Pages = {27--56}, |
726 |
– |
Timestamp = {2007-06-15T17:33:15.000+0200}, |
727 |
– |
Title = {Simulation of electrostatic systems in periodic boundary conditions. {I}. Lattice sums and dielectric constants}, |
728 |
– |
Volume = 373, |
729 |
– |
Year = 1980} |
730 |
– |
|
770 |
|
@article{Lacman65, |
771 |
|
Author = {Lacman, R.}, |
772 |
< |
Journal = {Colloq. Int. CNRS}, |
772 |
> |
title={Adsorption et croissance cristalline: Nancy, 6-12 Juin 1965}, |
773 |
> |
journal={Colloq. Int. CNRS}, |
774 |
|
Pages = {195}, |
775 |
|
Volume = 152, |
776 |
< |
Year = 1965} |
776 |
> |
year={1965} |
777 |
> |
} |
778 |
|
|
779 |
+ |
|
780 |
|
@article{PaperI, |
781 |
|
Author = {Lamichhane, Madan and Gezelter, J. Daniel and Newman, Kathie E.}, |
782 |
|
Date-Modified = {2014-06-04 15:14:05 +0000}, |
783 |
< |
Journal = {The Journal of Chemical Physics}, |
783 |
> |
Journal = jcp, |
784 |
|
Number = {-}, |
785 |
|
Pages = {-}, |
786 |
|
Title = {Real space alternatives to the Ewald Sum. I. Taylor-shifted and Gradient-shifted electrostatics for multipoles}, |
788 |
|
Year = {2014}} |
789 |
|
|
790 |
|
@article{fisher53, |
791 |
< |
Author = {Fisher, Ronald}, |
792 |
< |
Doi = {10.1098/rspa.1953.0064}, |
793 |
< |
Eprint = {http://rspa.royalsocietypublishing.org/content/217/1130/295.full.pdf+html}, |
794 |
< |
Journal = {Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences}, |
795 |
< |
Number = {1130}, |
796 |
< |
Pages = {295-305}, |
797 |
< |
Title = {Dispersion on a Sphere}, |
798 |
< |
Url = {http://rspa.royalsocietypublishing.org/content/217/1130/295.abstract}, |
799 |
< |
Volume = {217}, |
800 |
< |
Year = {1953}, |
801 |
< |
Bdsk-Url-1 = {http://rspa.royalsocietypublishing.org/content/217/1130/295.abstract}, |
760 |
< |
Bdsk-Url-2 = {http://dx.doi.org/10.1098/rspa.1953.0064}} |
791 |
> |
author = {Fisher, Ronald}, |
792 |
> |
title = {Dispersion on a Sphere}, |
793 |
> |
volume = {217}, |
794 |
> |
number = {1130}, |
795 |
> |
pages = {295-305}, |
796 |
> |
year = {1953}, |
797 |
> |
doi = {10.1098/rspa.1953.0064}, |
798 |
> |
abstract ={Any topological framework requires the development of a theory of errors of characteristic and appropriate mathematical form. The paper develops a form of theory which appears to be appropriate to measurements of position on a sphere. The primary problems of estimation as applied to the true direction, and the precision of observations, are discussed in the subcases which arise. The simultaneous distribution of the amplitude and direction of the vector sum of a number of random unit vectors of given precision, is demonstrated. From this is derived the test of significance appropriate to a worker whose knowledge of precision lies entirely in the internal evidence of the sample. This is the analogue of 'Student's' test in the Gaussian theory of errors. The general formulae obtained are illustrated using measurements of the direction of remanent magnetization in the directly and inversely magnetized lava flows obtained in Iceland by Mr J. Hospers.}, |
799 |
> |
URL = {http://rspa.royalsocietypublishing.org/content/217/1130/295.abstract}, |
800 |
> |
journal = {Proc. R. Soc. Lond. A} |
801 |
> |
} |
802 |
|
|
803 |
|
@article{Allen91, |
804 |
< |
Author = {Allen, F. H. and Doyle, M. J. and Taylor, R.}, |
805 |
< |
Doi = {10.1107/S0108768190010357}, |
806 |
< |
Journal = {Acta Crystallographica Section B}, |
807 |
< |
Month = {Feb}, |
808 |
< |
Number = {1}, |
809 |
< |
Pages = {29--40}, |
810 |
< |
Title = {{Automated conformational analysis from crystallographic data. 1. A symmetry-modified single-linkage clustering algorithm for three-dimensional pattern recognition}}, |
811 |
< |
Url = {http://dx.doi.org/10.1107/S0108768190010357}, |
812 |
< |
Volume = {47}, |
813 |
< |
Year = {1991}, |
814 |
< |
Bdsk-Url-1 = {http://dx.doi.org/10.1107/S0108768190010357}} |
804 |
> |
author = "Allen, F. H. and Doyle, M. J. and Taylor, R.", |
805 |
> |
title = "{Automated conformational analysis from crystallographic data. 1. A symmetry-modified single-linkage clustering algorithm for three-dimensional pattern recognition}", |
806 |
> |
journal = "Acta Crystallographica Section B", |
807 |
> |
year = "1991", |
808 |
> |
volume = "47", |
809 |
> |
number = "1", |
810 |
> |
pages = "29--40", |
811 |
> |
month = "Feb", |
812 |
> |
doi = {10.1107/S0108768190010357}, |
813 |
> |
url = {http://dx.doi.org/10.1107/S0108768190010357}, |
814 |
> |
} |
815 |
> |
|