--- trunk/chrisDissertation/dissertation.bib 2006/09/04 16:36:51 3000 +++ trunk/chrisDissertation/dissertation.bib 2006/09/07 20:42:27 3001 @@ -2,7 +2,7 @@ %% http://bibdesk.sourceforge.net/ -%% Created for Chris Fennell at 2006-08-28 10:33:08 -0400 +%% Created for Chris Fennell at 2006-09-07 14:48:19 -0400 %% Saved with string encoding Western (ASCII) @@ -16,7 +16,7 @@ @string{jacs = {J. Am. Chem. Soc.}} -@string{jcc = {J. Comput. Chem.}} +@string{jcc = {J. Comp. Chem.}} @string{jcp = {J. Chem. Phys.}} @@ -45,6 +45,98 @@ @string{rmp = {Rev. Mod. Phys.}} +@article{Harvey98, + Author = {S.~C. Harvey and R.~K.-Z. Tan and T.~E. {Cheatham III}}, + Date-Added = {2006-09-07 00:53:34 -0400}, + Date-Modified = {2006-09-07 00:55:37 -0400}, + Journal = {J. Comp. Chem.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Harvey_FlyingIceCube_98.pdf}, + Number = {7}, + Pages = {726-740}, + Title = {The Flying Ice Cube: \uppercase{V}elocity Rescaling in Molecular Dynamics Leads to Violation of Energy Equipartition}, + Volume = {19}, + Year = {1998}} + +@article{Verlet68, + Author = {L. Verlet}, + Date-Added = {2006-09-06 12:19:09 -0400}, + Date-Modified = {2006-09-06 12:21:04 -0400}, + Journal = {Phys. Rev.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Verlet_EqCorrFunc_67.pdf}, + Number = {1}, + Pages = {201-214}, + Title = {Computer "Experiments" on Classical Fluids. \uppercase{II. E}quilibrium Correlation Functions}, + Volume = {165}, + Year = {1968}} + +@article{Verlet67, + Author = {L. Verlet}, + Date-Added = {2006-09-06 12:16:19 -0400}, + Date-Modified = {2006-09-06 12:18:57 -0400}, + Journal = {Phys. 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Chem.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Krautler_FastSHAKE_01.pdf}, + Number = {5}, + Pages = {501-508}, + Title = {A Fast \uppercase{SHAKE} Algorithm to Solve Distance Constraint Equations for Small Molecules in Molecular Dynamics Simulations}, + Volume = {22}, + Year = {2001}} + +@article{Swope82, + Author = {W.~C. Swope and H.~C. Andersen and P.~H. Berens and K.~R. Wilson}, + Date-Added = {2006-09-03 21:47:42 -0400}, + Date-Modified = {2006-09-03 21:50:26 -0400}, + Journal = {J. Chem. Phys.}, + Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Swope_VelocityVerlet_82.pdf}, + Number = {1}, + Pages = {637-649}, + Title = {A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: \uppercase{A}pplication to small water clusters}, + Volume = {76}, + Year = {1982}} + +@article{Trotter59, + Author = {H.~F. 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Berendsen}, Date-Added = {2006-08-06 17:05:44 -0400}, - Date-Modified = {2006-08-06 17:08:35 -0400}, + Date-Modified = {2006-09-05 22:29:01 -0400}, Doi = {10.1016/0021-9991(77)90098-5}, - Journal = {J. Comput. Phys.}, + Journal = {J. Comp. Phys.}, Month = {March}, Number = {3}, Pages = {327-341}, @@ -607,9 +699,9 @@ @article{Rokhlin85, Author = {V. Rokhlin}, Date-Added = {2006-03-19 20:02:25 -0500}, - Date-Modified = {2006-03-19 20:04:19 -0500}, + Date-Modified = {2006-09-05 22:30:02 -0400}, Doi = {10.1016/0021-9991(85)90002-6}, - Journal = {J. Comput. Phys.}, + Journal = {J. Comp. Phys.}, Month = {September}, Number = {2}, Pages = {187-207}, @@ -991,9 +1083,9 @@ @article{Steinbach94, Author = {P.~J. Steinbach and B.~R. Brooks}, Date-Added = {2006-03-12 19:26:45 -0500}, - Date-Modified = {2006-03-12 19:29:43 -0500}, + Date-Modified = {2006-09-05 22:30:22 -0400}, Doi = {10.1002/jcc.540150702}, - Journal = {J. Comput. Chem.}, + Journal = {J. Comp. Chem.}, Number = {7}, Pages = {667-683}, Title = {New spherical-cutoff methods for long-range forces in macromolecular simulation}, @@ -2131,13 +2223,14 @@ Volume = 198, Year = 1993} -@book{Frenkel96, +@book{Frenkel02, Address = {New York}, Author = {D. Frenkel and B. Smit}, - Date-Modified = {2006-07-18 15:02:21 -0400}, + Date-Modified = {2006-09-05 18:18:32 -0400}, + Edition = {2nd}, Publisher = {Academic Press}, Title = {Understanding Molecular Simulation: \uppercase{F}rom Algorithms to Applications}, - Year = 1996} + Year = 2002} @article{Dullweber97, Author = {A. Dullweber and B. Leimkuhler and R. McLachlan}, @@ -2588,8 +2681,8 @@ @article{Andersen83, Author = {H.~C. Andersen}, - Date-Modified = {2006-07-18 14:59:26 -0400}, - Journal = {Journal of Computational Physics}, + Date-Modified = {2006-09-05 22:28:45 -0400}, + Journal = {J. Comp. Phys.}, Pages = {24-34}, Title = {\uppercase{RATTLE: A} Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations}, Volume = 52, @@ -2788,11 +2881,11 @@ @article{Smith96, Author = {W. Smith and T. Forester}, - Date-Modified = {2006-07-18 14:56:36 -0400}, + Date-Modified = {2006-09-07 14:48:19 -0400}, Journal = {J. Molec. Graphics.}, Number = 3, Pages = {136-141}, - Title = {\uppercase{DL_POLY_2.0: A} general-purpose parallel molecular dynamics simulation package}, + Title = {\uppercase{DL\_POLY\_2.0: A} general-purpose parallel molecular dynamics simulation package}, Volume = 14, Year = 1996}