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Revision 3708 by kstocke1, Mon Nov 22 22:34:45 2010 UTC vs.
Revision 3709 by gezelter, Wed Nov 24 20:44:51 2010 UTC

# Line 2 | Line 2
2   %% http://bibdesk.sourceforge.net/
3  
4  
5 < %% Created for Kelsey Stocker at 2010-11-22 12:25:03 -0500
5 > %% Created for Dan Gezelter at 2010-11-24 14:02:46 -0500
6  
7  
8   %% Saved with string encoding Unicode (UTF-8)
# Line 47 | Line 47
47   @string{rmp = {Rev. Mod. Phys.}}
48  
49  
50 + @misc{Qhull,
51 +        Date-Added = {2010-11-24 13:59:33 -0500},
52 +        Date-Modified = {2010-11-24 13:59:33 -0500},
53 +        Note = {Software Library Is Available From the National Science and Technology Research Center for Computation and Visualization of Geometric Structures (The Geometry Center), University of Minnesota. $\mathtt{http://www.geom.umn.edu/software/qhull/}$},
54 +        Title = {Qhull},
55 +        Year = 1993}
56 +
57 + @article{Sun:2008fk,
58 +        Abstract = {We present an algorithm for carrying out Langevin dynamics simulations on complex rigid bodies by incorporating the hydrodynamic resistance tensors for arbitrary shapes into an advanced rotational integration scheme. The integrator gives quantitative agreement with both analytic and approximate hydrodynamic theories for a number of model rigid bodies and works well at reproducing the solute dynamical properties (diffusion constants and orientational relaxation times) obtained from explicitly solvated simulations. (C) 2008 American Institute of Physics.},
59 +        Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
60 +        Author = {Sun, Xiuquan and Lin, Teng and Gezelter, J. Daniel},
61 +        Date-Added = {2010-11-24 13:59:02 -0500},
62 +        Date-Modified = {2010-11-24 14:02:09 -0500},
63 +        Doi = {DOI 10.1063/1.2936991},
64 +        Isi = {000256936700007},
65 +        Isi-Recid = {171639081},
66 +        Isi-Ref-Recids = {74848920 50663994 119330651 134477260 22939933 131802420 114632880 64190493 55802797 21189309 75892319 21406638 110293282 113408519 96782216 130078852 17359022 100665361 113671463 49951397 123367767 123367728 154386980 102422498 35241737 32391149 6325223 127852571 58929276 95157449 32334819 42562624 12736689 163240533 130556111 122778971 51825394 49588888 145030437 101277182 101670714 148588118 73818708 142688207 124629108 18817706 103995016 149522882 50793 47098 109491995 114073447 108180005 98728780 112132273 16915130 31384453 127055599 134786719 131544581 124299358 1555937 160750161 85968524 163240534},
67 +        Journal = {J. Chem. Phys.},
68 +        Number = {23},
69 +        Pages = {234107},
70 +        Publisher = {AMER INST PHYSICS},
71 +        Times-Cited = {2},
72 +        Title = {Langevin dynamics for rigid bodies of arbitrary shape},
73 +        Volume = {128},
74 +        Year = {2008},
75 +        Bdsk-Url-1 = {http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;KeyUT=000256936700007}}
76 +
77   @article{Kohanoff:2005qm,
78          Abstract = {We present a method for simulating clusters or, molecules subjected to an external pressure, which is exerted by a pressure-transmitting medium. It is based on the canoninical Langevin thermostat, but extended in such a way that the Brownian forces are allowed to operate only from the region exterior to the cluster. We show that the frictional force of the Langevin thermostat is linked to the pressure of the reservoir in a unique way, and that this property manifests itself when the particle it acts upon is not pointlike but has finite dimensions. By choosing appropriately the strength of the random forces and the friction coefficient, both temperature and pressure can be controlled independently. We illustrate the capabilities of this new method by calculating the compressibility of small gold clusters under pressure.},
79          Address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY},
# Line 126 | Line 153
153          Publisher = {Springer-Verlag New York, Inc.},
154          Title = {Molecular Modeling and Simulation: An Interdisciplinary Guide},
155          Year = {2002}}
129 –
130 – @article{Sun:2008fk,
131 –        Abstract = {We present an algorithm for carrying out Langevin dynamics simulations on complex rigid bodies by incorporating the hydrodynamic resistance tensors for arbitrary shapes into an advanced rotational integration scheme. The integrator gives quantitative agreement with both analytic and approximate hydrodynamic theories for a number of model rigid bodies and works well at reproducing the solute dynamical properties (diffusion constants and orientational relaxation times) obtained from explicitly solvated simulations. (C) 2008 American Institute of Physics.},
132 –        Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
133 –        Author = {Sun, Xiuquan and Lin, Teng and Gezelter, J. Daniel},
134 –        Date-Added = {2010-11-22 12:24:00 -0500},
135 –        Date-Modified = {2010-11-22 12:24:00 -0500},
136 –        Doi = {DOI 10.1063/1.2936991},
137 –        Isi = {000256936700007},
138 –        Isi-Recid = {171639081},
139 –        Isi-Ref-Recids = {74848920 50663994 119330651 134477260 22939933 131802420 114632880 64190493 55802797 21189309 75892319 21406638 110293282 113408519 96782216 130078852 17359022 100665361 113671463 49951397 123367767 123367728 154386980 102422498 35241737 32391149 6325223 127852571 58929276 95157449 32334819 42562624 12736689 163240533 130556111 122778971 51825394 49588888 145030437 101277182 101670714 148588118 73818708 142688207 124629108 18817706 103995016 149522882 50793 47098 109491995 114073447 108180005 98728780 112132273 16915130 31384453 127055599 134786719 131544581 124299358 1555937 160750161 85968524 163240534},
140 –        Journal = {J. Chem. Phys.},
141 –        Month = jun,
142 –        Number = {23},
143 –        Publisher = {AMER INST PHYSICS},
144 –        Times-Cited = {2},
145 –        Title = {Langevin dynamics for rigid bodies of arbitrary shape},
146 –        Volume = {128},
147 –        Year = {2008},
148 –        Bdsk-Url-1 = {http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;KeyUT=000256936700007}}
156  
157   @article{GarciadelaTorreJ2002,
158          Affiliation = {Departamento de Qu{\'\i}mica F{\'\i}sica, Facultad de Qu{\'\i}mica, Universidad de Murcia, 30071 Murcia, Spain},

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