--- trunk/fennellDissertation/dissertation.bib 2006/07/21 22:18:24 2957 +++ trunk/fennellDissertation/dissertation.bib 2006/08/27 15:24:39 2977 @@ -2,7 +2,7 @@ %% http://bibdesk.sourceforge.net/ -%% Created for Chris Fennell at 2006-07-21 11:45:23 -0400 +%% Created for Chris Fennell at 2006-08-26 23:57:49 -0400 %% Saved with string encoding Western (ASCII) @@ -43,7 +43,366 @@ @string{prl = {Phys. Rev. Lett.}} @string{rmp = {Rev. Mod. Phys.}} + + +@article{Freddolino06, + Author = {P.~L. Freddolino and A.~S. Arkhipov and S.~B. Larson and A. McPherson and K. Schulten}, + Date-Added = {2006-08-24 16:11:43 -0400}, + Date-Modified = {2006-08-24 16:14:03 -0400}, + Doi = {10.1016/j.str.2005.11.014}, + Journal = {Structure}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2006/Freddolino_VirusSimulation_06.pdf}, + Pages = {437-449}, + Title = {Molecular Dynamics Simulations of the Complete Satellite Tobacco Mosaic Virus}, + Volume = {14}, + Year = {2006}} + +@article{Gillen72, + Author = {K.~T. Gillen and D.~C. Douglas and M.~J.~R. Hoch}, + Date-Added = {2006-08-24 10:40:48 -0400}, + Date-Modified = {2006-08-24 10:41:10 -0400}, + Journal = jcp, + Pages = {5117-5119}, + Title = {Self-Diffusion in Liquid Water to $-31^\circ$~\uppercase{C}}, + Volume = 57, + Year = 1972} + +@book{Rothschild84, + Address = {New York}, + Author = {W.~G. Rothschild}, + Date-Added = {2006-08-24 10:35:25 -0400}, + Date-Modified = {2006-08-24 10:35:25 -0400}, + Publisher = {John Wiley \& Sons, Inc.}, + Title = {Dynamics of Molecular Liquids}, + Year = 1984} + +@article{Krynicki66, + Author = {K. Krynicki}, + Date-Added = {2006-08-24 10:34:29 -0400}, + Date-Modified = {2006-08-24 10:35:05 -0400}, + Journal = {Physica}, + Pages = {167-178}, + Title = {PROTON SPIN-LATTICE RELAXATION IN PURE WATER BETWEEN 0$^\circ$\uppercase{C} AND 100$^\circ$\uppercase{C}}, + Volume = 32, + Year = 1966} + +@book{Eisenberg69, + Address = {Oxford}, + Author = {D. Eisenberg and W. Kauzmann}, + Date-Added = {2006-08-24 10:33:59 -0400}, + Date-Modified = {2006-08-24 10:33:59 -0400}, + Publisher = {Oxford University Press}, + Title = {The Structure and Properties of Water}, + Year = 1969} + +@article{Mills73, + Author = {R. Mills}, + Date-Added = {2006-08-24 10:24:33 -0400}, + Date-Modified = {2006-08-24 10:25:04 -0400}, + Journal = jpc, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Mills_Diffuse_73.pdf}, + Number = 5, + Pages = {685-688}, + Title = {Self-Diffusion in Normal and Heavy Water in the Range 1-45$^\circ$}, + Volume = 77, + Year = 1973} + +@article{Barriol64, + Author = {J. Barriol and A. Weisbecker}, + Date-Added = {2006-08-24 10:23:25 -0400}, + Date-Modified = {2006-08-24 10:23:39 -0400}, + Journal = {Compt. Rend. Acad. Sc. Paris}, + Pages = {4643-4645}, + Title = {Contribution \`{a} l'\'{e}tude di\'{e}lectrique des liquides associ\'{e}s par liaisons hydrog\'{e}ne}, + Volume = 259, + Year = 1964} + +@article{Badyal00, + Author = {Y.~S. Badyal and M.~-L. Saboungi and D.~L. Price and S.~D. Shastri and D.~R. Haeffner and A.~K. Soper}, + Date-Added = {2006-08-24 10:21:10 -0400}, + Date-Modified = {2006-08-24 10:22:49 -0400}, + Journal = jcp, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Badyal_ElectronDistributionInH2O_00.pdf}, + Number = 21, + Pages = {9206-9208}, + Title = {Electron distribution in water}, + Volume = 112, + Year = 2000} + +@article{Gubskaya02, + Author = {A.~V. Gubskaya and P.~G. Kusalik}, + Date-Added = {2006-08-24 10:17:41 -0400}, + Date-Modified = {2006-08-24 10:18:37 -0400}, + Journal = jcp, + Number = 11, + Pages = {5290-5302}, + Title = {The total molecular dipole moment for liquid water}, + Volume = 117, + Year = 2002} + +@article{Sprik91, + Author = {M. Sprik}, + Date-Added = {2006-08-24 10:10:41 -0400}, + Date-Modified = {2006-08-24 10:17:06 -0400}, + Journal = jcp, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Sprik_HBondingAndStaticDielectricInH2O_91.pdf}, + Number = 9, + Pages = {6762-6769}, + Title = {Hydrogen bonding and the static dielectric constant in liquid water}, + Volume = 95, + Year = 1991} + +@article{Nezbeda02, + Author = {M. Lisal and J. Kolafa and I. Nezbeda}, + Date-Added = {2006-08-24 10:08:19 -0400}, + Date-Modified = {2006-08-24 10:08:37 -0400}, + Journal = jcp, + Number = 19, + Pages = {8892-8897}, + Title = {An examination of the five-site potential (\uppercase{TIP5P}) for water}, + Volume = 117, + Year = 2002} + +@article{Rahman72, + Author = {A. Rahman and F.~H. Stillinger}, + Date-Added = {2006-08-24 10:03:48 -0400}, + Date-Modified = {2006-08-24 10:09:05 -0400}, + Journal = jcp, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Ice_Simulations/Rahman_ProtonDistributionInIce_72.pdf}, + Number = 9, + Pages = {4009-4017}, + Title = {Proton Distribution in Ice and the \uppercase{K}irkwood Correlation Factor}, + Volume = 57, + Year = 1972} + +@article{Bernal33, + Author = {J.~D. Bernal and R.~H. Fowler}, + Date-Added = {2006-08-24 09:58:00 -0400}, + Date-Modified = {2006-08-24 09:59:43 -0400}, + Journal = {J. Chem. Phys.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/OldPapers/Bernal_TheoryOfWater_33.pdf}, + Number = {8}, + Pages = {515-548}, + Title = {A Theory of Water and Ionic Solution with Particular Reference to Hydrogen and Hydroxyl Ions}, + Volume = {1}, + Year = {1933}} + +@article{Hoover86, + Author = {W.~G. Hoover}, + Date-Added = {2006-08-24 09:53:21 -0400}, + Date-Modified = {2006-08-24 09:53:21 -0400}, + Journal = pra, + Number = 3, + Pages = {2499-2500}, + Title = {Constant-pressure equations of motion}, + Volume = 34, + Year = 1986} + +@article{Fennell06, + Author = {C.~J. Fennell and J.~D. Gezelter}, + Date-Added = {2006-08-24 09:49:57 -0400}, + Date-Modified = {2006-08-24 09:49:57 -0400}, + Doi = {10.1063/1.2206581}, + Journal = {J. Chem. Phys.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Fennell_PairwiseSummationMethods_06.pdf}, + Number = {23}, + Pages = {234104(12)}, + Rating = {5}, + Read = {Yes}, + Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics}, + Volume = {124}, + Year = {2006}} + +@article{Evans77b, + Author = {D.~J. Evans and S. Murad}, + Date-Added = {2006-08-22 14:23:16 -0400}, + Date-Modified = {2006-08-22 14:23:16 -0400}, + Journal = {Mol. Phys.}, + Pages = {327-331}, + Title = {Singularity-free algorithm for molecular dynamics simulation of rigid polyatomics}, + Volume = 34, + Year = 1977} + +@article{Aguado03, + Author = {A. Aguado and P.~A. Madden}, + Date-Added = {2006-08-16 10:42:15 -0400}, + Date-Modified = {2006-08-16 10:43:56 -0400}, + Doi = {10.1063/1.1605941}, + Journal = {J. Chem. Phys.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Aguado_MultipoleEwald_03.pdf}, + Number = {14}, + Pages = {7471-7483}, + Title = {Ewald summation of electrostatic multipole interactions up to the quadrupolar level}, + Volume = {119}, + Year = {2003}} + +@article{Smith98, + Author = {W. Smith}, + Date-Added = {2006-08-16 10:02:44 -0400}, + Date-Modified = {2006-08-16 10:41:23 -0400}, + Journal = {CCP5 Information Quarterly}, + Number = {46}, + Title = {Point multipoles in the \uppercase{E}wald summation (Revisited)}, + Year = {1998}} + +@book{Stone02, + Author = {A.~J. Stone}, + Date-Added = {2006-08-14 18:14:32 -0400}, + Date-Modified = {2006-08-14 22:45:20 -0400}, + Editor = {J.~S. Rowlinson}, + Publisher = {Oxford University Press, Inc.}, + Title = {The Theory of Intermolecular Forces}, + Year = {2002}} + +@book{Hirschfelder67, + Author = {J.~O. Hirschfelder and C.~F. Curtiss and R.~B. Bird}, + Date-Added = {2006-08-14 10:15:21 -0400}, + Date-Modified = {2006-08-14 22:45:43 -0400}, + Editor = {M.~G. Mayer}, + Publisher = {John Wiley \& Sons, Inc.}, + Title = {Molecular Theory of Gases and Liquids}, + Year = {1967}} + +@article{Ryckaert77, + Author = {J.-P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen}, + Date-Added = {2006-08-06 17:05:44 -0400}, + Date-Modified = {2006-08-06 17:08:35 -0400}, + Doi = {10.1016/0021-9991(77)90098-5}, + Journal = {J. Comput. Phys.}, + Month = {March}, + Number = {3}, + Pages = {327-341}, + Title = {Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of {\it n}-alkanes}, + Volume = {23}, + Year = {1977}} + +@article{Impey82, + Author = {R.~W. Impey and P.~A. Madden and I.~R. McDonald}, + Date-Added = {2006-08-03 08:42:21 -0400}, + Date-Modified = {2006-08-03 08:44:06 -0400}, + Journal = {Mol. Phys.}, + Number = {3}, + Pages = {513-539}, + Title = {Spectroscopic and transport properties of water: \uppercase{M}odel calculations and the interpretation of experimental results}, + Volume = {46}, + Year = {1982}} + +@article{Laasonen93, + Author = {K. Laasonen and M. Sprik and M. Parrinello and R. Car}, + Date-Added = {2006-08-02 08:23:46 -0400}, + Date-Modified = {2006-08-02 13:09:18 -0400}, + Journal = {J. Chem. Phys.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Laasonen_AbInitioLiquidWater_93.pdf}, + Number = {11}, + Pages = {9080-9089}, + Title = {``{\it \uppercase{A}b initio}" liquid water}, + Volume = {99}, + Year = {1993}} + +@article{Donchev06, + Author = {A.~G. Donchev and N.~G. Galkin and A.~A. Illarionov and O.~V. Khoruzhii and M.~A. Olevanov and M.~V. Subbotin and V.~I. Tarasov}, + Date-Added = {2006-08-02 08:15:11 -0400}, + Date-Modified = {2006-08-02 08:16:16 -0400}, + Doi = {www.pnas.org/cgi/doi/10.1073/pnas.0602982103}, + Journal = {Proc. Natl. Acad. Sci. USA}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2006/Donchev_QuantumWater_06.pdf}, + Number = {23}, + Pages = {8613-8617}, + Title = {Water properties from first principles: \uppercase{S}imulations by a general-purpose quantum mechanical polarizable force field}, + Volume = {103}, + Year = {2006}} + +@article{Malmberg56, + Author = {G.~G. Malmberg and A.~A. Maryott}, + Date-Added = {2006-08-01 17:19:00 -0400}, + Date-Modified = {2006-08-02 13:16:04 -0400}, + Journal = {J. Res. Natl. Bur. Stand.}, + Number = {1}, + Pages = {1-8}, + Title = {Dielectric constant of Water from 0$^\circ$ to 100$^\circ$\uppercase{C}}, + Volume = {56}, + Year = {1956}} + +@article{Neumann80, + Author = {M. Neumann and O. Steinhauser}, + Date-Added = {2006-08-01 17:17:52 -0400}, + Date-Modified = {2006-08-01 17:18:51 -0400}, + Journal = {Mol. Phys.}, + Number = {2}, + Pages = {437-454}, + Title = {The influence of boundary conditions used in machine simulations on the structure of polar systems}, + Volume = {39}, + Year = {1980}} + +@article{Neumann83, + Author = {M. Neumann}, + Date-Added = {2006-08-01 17:16:51 -0400}, + Date-Modified = {2006-08-01 17:17:45 -0400}, + Journal = {Mol. Phys.}, + Number = {4}, + Pages = {841-858}, + Title = {Dipole moment fluctuation formulas in computer simulations of polar systems}, + Volume = {50}, + Year = {1983}} + +@article{Kell75, + Author = {G.~S. Kell}, + Date-Added = {2006-08-01 16:05:09 -0400}, + Date-Modified = {2006-08-02 13:17:29 -0400}, + Journal = {J. Chem. Eng. Data}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Kell_CompressibilityAndExpansivityOfH2O_75.pdf}, + Number = {1}, + Pages = {91-105}, + Title = {Density, Thermal Expansivity, and Compressibility of Liquid Water from 0$^\circ$ to 150$^\circ$\uppercase{C}: \uppercase{C}orrelations and Tables for Atmospheric Pressure and Saturation Reviewed and Expressed on 1968 Temperature Scale}, + Volume = {20}, + Year = {1975}} + +@article{Wagner02, + Author = {W. Wagner and A. Pru{\ss}}, + Date-Added = {2006-08-01 16:02:31 -0400}, + Date-Modified = {2006-08-02 13:16:50 -0400}, + Journal = {J. Phys. Chem. Ref. Data}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Wagner_ThermodynamicPropertiesOfH2O_03.pdf}, + Number = {2}, + Pages = {387-535}, + Title = {The \uppercase{IAPWS} Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use}, + Volume = {31}, + Year = {2002}} + +@article{Neumann84, + Author = {M. Neumann and O. Steinhauser and G.~S. Pawley}, + Date-Added = {2006-07-31 10:22:39 -0400}, + Date-Modified = {2006-07-31 10:24:17 -0400}, + Journal = {Mol. Phys.}, + Number = {1}, + Pages = {97-113}, + Title = {Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations}, + Volume = {52}, + Year = {1984}} + +@article{Neumann85, + Author = {M. Neumann}, + Date-Added = {2006-07-31 10:19:17 -0400}, + Date-Modified = {2006-08-02 13:17:58 -0400}, + Journal = {J. Chem. Phys.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/DielectricConst./Neumann_H2ODielConst_85.pdf}, + Number = {12}, + Pages = {5663-5672}, + Title = {The dielectric constant of water. \uppercase{C}omputer simulations with the \uppercase{MCY} potential}, + Volume = {82}, + Year = {1985}} +@book{Berry00, + Address = {New York}, + Author = {R. Stephen Berry and Stuart A. Rice and John Ross}, + Date-Added = {2006-07-30 14:49:40 -0400}, + Date-Modified = {2006-07-30 14:53:08 -0400}, + Edition = {Second}, + Editor = {Donald G. Truhlar}, + Publisher = {Oxford University Press, Inc.}, + Series = {Topics in Physical Chemistry}, + Title = {Physical Chemistry}, + Year = {2000}} @article{Sorenson00, Author = {J.~M. Sorenson and G. Hura and R.~M. Glaeser and T. Head-Gordon}, @@ -93,10 +452,10 @@ @article{Rick04, Author = {S.~W. Rick}, Date-Added = {2006-07-18 10:49:48 -0400}, - Date-Modified = {2006-07-18 14:23:07 -0400}, + Date-Modified = {2006-08-19 19:34:36 -0400}, Doi = {10.1063/1.1652434}, Journal = {J. Chem. Phys.}, - Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Rick_TIP5P-Ew_04.pdf}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Rick_TIP5P-E_04.pdf}, Number = {13}, Pages = {6085-6093}, Title = {A reoptimization of the five-site water potential (\uppercase{TIP5P}) for use with \uppercase{E}wald sums}, @@ -869,14 +1228,6 @@ Title = {On the relation between self-diffusion and viscosity of liquids}, Volume = 79, Year = 1983} - -@article{Zwanzig88, - Author = {R. Zwanzig}, - Journal = {Proc. Natl. Acad. Sci. USA}, - Pages = 2029, - Title = {Diffusion in rough potential}, - Volume = 85, - Year = 1988} @article{Stillinger95, Author = {F.~H. Stillinger}, @@ -913,14 +1264,6 @@ Volume = 106, Year = 1997} -@article{Spath96, - Author = {B.~W. Spath and W.~H. Miller}, - Journal = jcp, - Pages = 95, - Title = {SEMICLASSICAL CALCULATION OF CUMULATIVE REACTION PROBABILITIES}, - Volume = 104, - Year = 1996} - @book{Warshel91, Address = {New York}, Author = {Arieh Warshel}, @@ -972,22 +1315,6 @@ Title = {Mixed semiclassical-classical approaches to the dynamics of complex molecular systems}, Year = 1997} -@article{Keshavamurthy94, - Author = {S. Keshavamurthy and W.~H. Miller}, - Journal = cpl, - Pages = 189, - Title = {ivr}, - Volume = 218, - Year = 1994} - -@article{Billing75, - Author = {G.~D. Billing}, - Journal = cpl, - Pages = 391, - Title = {ehrenfest}, - Volume = 30, - Year = 1975} - @article{Chang90, Author = {Y.-T. Chang and W.~H. Miller}, Journal = jpc, @@ -1068,14 +1395,6 @@ Title = {A perfect quantum error correcting code: 5 bit code correcting a general 1 qubit error to encode 1 qubit of information}, Volume = 98, Year = 1996} - -@article{Shor95, - Author = {P.~W. Shor}, - Journal = {Phys. Rev. A}, - Pages = {2493-2496}, - Title = {SCHEME FOR REDUCING DECOHERENCE IN QUANTUM COMPUTER MEMORY}, - Volume = 52, - Year = 1995} @article{Calderbank96, Author = {A.~R. Calderbank and P.~W. Shor}, @@ -1365,14 +1684,6 @@ Title = {Qualitative vs. Quantititative Thinking: \uppercase{A}re we teaching the right thing?}, Volume = 3, Year = 1992} - -@book{Mazur97, - Address = {New Jersey}, - Author = {Eric Mazur}, - Date-Modified = {2006-07-18 15:07:06 -0400}, - Publisher = {Prentice Hall}, - Title = {Peer Instruction: $\mbox{A}$ User's Manual}, - Year = 1997} @article{Wigner55, Author = {E.~P. Wigner}, @@ -1617,13 +1928,6 @@ Volume = 46, Year = 1992} -@article{Wendt78, - Author = {H. Wendt and F.~F. Abraham}, - Journal = prl, - Pages = 1244, - Volume = 41, - Year = 1978} - @article{Lewis91, Author = {L.~J. Lewis}, Journal = prb, @@ -1664,12 +1968,6 @@ Volume = 24, Year = 1981} -@unpublished{Truhlar00, - Author = {D.~G. Truhlar and A. Kohen}, - Date-Modified = {2006-02-15 16:35:52 -0500}, - Note = {private correspondence}, - Year = {2000}} - @article{Truhlar78, Author = {Donald G. Truhlar}, Journal = {J. Chem. Ed.}, @@ -1746,50 +2044,11 @@ Pages = {1281-1329}, Title = {Random and Cooperative Sequential Adsorption}, Volume = 65, - Year = 1993} - -@article{Dwyer1977, - Author = {D.~J. Dwyer and G.~W. Simmons and R.~P. Wei}, - Journal = {Surf. Sci.}, - Pages = 617, - Volume = 64, - Year = 1977} - -@article{Macritche78, - Author = {F. MacRitche}, - Date-Modified = {2006-02-15 10:27:37 -0500}, - Journal = {Adv. Protein Chem.}, - Pages = 283, - Volume = 32, - Year = 1978} - -@article{Feder80, - Author = {J. Feder}, - Date-Modified = {2006-02-15 10:17:21 -0500}, - Journal = {J. Theor. Biol.}, - Pages = 237, - Volume = 87, - Year = 1980} - -@article{Ramsden93, - Author = {J.~J. Ramsden}, - Date-Modified = {2006-02-15 10:31:03 -0500}, - Journal = prl, - Pages = 295, - Volume = 71, Year = 1993} -@article{Egelhoff89, - Author = {W.~F. Egelhoff and I. Jacob}, - Date-Modified = {2006-02-15 10:16:54 -0500}, - Journal = prl, - Pages = 921, - Volume = 62, - Year = 1989} - -@article{Viot92a, +@article{Viot92, Author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot}, - Date-Modified = {2006-07-18 14:57:12 -0400}, + Date-Modified = {2006-08-24 10:33:17 -0400}, Journal = jpc, Pages = {5212-5218}, Title = {RANDOM SEQUENTIAL ADSORPTION OF ANISOTROPIC PARTICLES 1. \uppercase{J}AMMING LIMIT AND ASYMPTOTIC-BEHAVIOR}, @@ -1805,13 +2064,6 @@ Volume = 191, Year = 1992} -@article{Dobson1987, - Author = {B.~W. Dobson}, - Journal = prb, - Pages = 1068, - Volume = 36, - Year = 1987} - @article{Boyer95, Author = {D. Boyer and P. Viot and G. Tarjus and J. Talbot}, Date-Modified = {2006-02-15 10:15:52 -0500}, @@ -1848,15 +2100,6 @@ Volume = 14, Year = 1998} -@article{Solomon86, - Author = {H. Solomon and H. Weiner}, - Date-Modified = {2006-02-15 10:10:38 -0500}, - Journal = {Comm. Statistics A}, - Pages = {2571-2607}, - Title = {A REVIEW OF THE PACKING PROBLEM}, - Volume = 15, - Year = 1986} - @article{Bonnier93, Author = {B. Bonnier and M. Hontebeyrie and C. Meyers}, Date-Modified = {2006-02-15 10:08:35 -0500}, @@ -1874,8 +2117,9 @@ Title = {Understanding Molecular Simulation: \uppercase{F}rom Algorithms to Applications}, Year = 1996} -@article{Dullweber1997, +@article{Dullweber97, Author = {A. Dullweber and B. Leimkuhler and R. McLachlan}, + Date-Modified = {2006-08-24 09:55:06 -0400}, Journal = jcp, Number = 15, Pages = {5840-5851}, @@ -1903,16 +2147,17 @@ @article{Liu96b, Author = {Y. Liu and T. Ichiye}, - Date-Modified = {2006-07-18 15:06:06 -0400}, + Date-Modified = {2006-08-22 14:42:05 -0400}, Journal = jpc, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/SSDStuff/Ichiye_SSD_96.pdf}, Pages = {2723-2730}, Title = {Soft sticky dipole potential for liquid water: \uppercase{a} new model}, Volume = 100, Year = 1996} -@article{Liu96a, +@article{Liu96, Author = {Y. Liu and T. Ichiye}, - Date-Modified = {2006-02-15 10:27:01 -0500}, + Date-Modified = {2006-08-22 14:39:40 -0400}, Journal = {Chem. Phys. Lett.}, Pages = {334-340}, Title = {The static dielectric constant of the soft sticky dipole model of liquid water: $\mbox{Monte Carlo}$ simulation}, @@ -1921,8 +2166,9 @@ @article{Chandra99, Author = {A. Chandra and T. Ichiye}, - Date-Modified = {2006-07-18 15:01:30 -0400}, + Date-Modified = {2006-08-22 14:41:50 -0400}, Journal = {J. Chem. Phys.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/SSDStuff/Chandra_SSDdynamics_99.pdf}, Number = 6, Pages = {2701-2709}, Title = {Dynamical properties of the soft sticky dipole model of water: \uppercase{M}olecular dynamics simulation}, @@ -2336,15 +2582,6 @@ Title = {A high-quality x-ray scattering experiment on liquid water at ambient conditions}, Volume = 113, Year = 2000} - -@article{Ryckaert77, - Author = {J.~P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen}, - Date-Modified = {2006-07-18 15:12:28 -0400}, - Journal = {Journal of Computational Physics}, - Pages = {327-341}, - Title = {Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: $\mbox{M}$olecular Dynamics of $n$-Alkanes}, - Volume = 23, - Year = 1977} @inbook{Fowles99, Author = {G.~R. Fowles and G.~L. Cassiday}, @@ -2375,9 +2612,11 @@ @article{Holz00, Author = {M. Holz and S.~R. Heil and A. Sacco}, + Date-Modified = {2006-08-06 14:07:16 -0400}, Journal = {Phys. Chem. Chem. Phys.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Holz_SelfDiffusionOfWaterFromNMR_00.pdf}, Pages = {4740-4742}, - Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1${\sc h} {\sc nmr pfg} measurements}, + Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1$\uppercase{h nmr pfg} measurements}, Volume = 2, Year = 2000} @@ -2557,8 +2796,9 @@ Address = {Dordrecht}, Author = {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans}, Booktitle = {Intermolecular Forces}, + Date-Modified = {2006-08-02 13:23:53 -0400}, Editor = {B. Pullman}, - Pages = 331, + Pages = {331-342}, Publisher = {Reidel}, Title = {Simple Point Charge Water}, Year = 1981} @@ -2620,7 +2860,9 @@ @article{Onsager36, Author = {L. Onsager}, + Date-Modified = {2006-08-02 10:49:57 -0400}, Journal = jacs, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Onsager_electMoments_36.pdf}, Pages = {1486-1493}, Title = {Electric Moments of Molecules in Liquids}, Volume = 58, @@ -2653,11 +2895,11 @@ @article{Vlot99, Author = {M.~J. Vlot and J. Huinink and J.~P. van~der~Eerden}, - Date-Modified = {2006-07-18 15:18:07 -0400}, + Date-Modified = {2006-08-26 23:57:49 -0400}, Journal = jcp, Number = 1, Pages = {55-61}, - Title = {Free energy calculations on systems of rigid molecules: $\mbox{A}$n application to the $\mbox{TIP4P}$ model of $\mbox{H}_2$\mbox{O}$}, + Title = {Free energy calculations on systems of rigid molecules: \uppercase{A}n application to the \uppercase{TIP4P} model of \uppercase{H}$_2$\uppercase{O}}, Volume = 110, Year = 1999} @@ -2691,22 +2933,6 @@ Volume = 189, Year = 1992} -@article{Mezei92, - Author = {M. Mezei}, - Journal = {J. Comput. Chem.}, - Pages = 651, - Title = {Don't Remember}, - Volume = 13, - Year = 1992} - -@article{Widom63, - Author = {B. Widom}, - Journal = jcp, - Pages = 2808, - Title = {Particle insertion}, - Volume = 39, - Year = 1963} - @article{Clancy94, Author = {L.~A. B\'{a}ez and P. Clancy}, Journal = jcp,