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Revision 4187 by gezelter, Sun Jun 15 16:25:42 2014 UTC

# Line 812 | Line 812 | url = {http://dx.doi.org/10.1107/S0108768190010357},
812   doi = {10.1107/S0108768190010357},
813   url = {http://dx.doi.org/10.1107/S0108768190010357},
814   }
815 +
816 + @article{Ewald21,
817 +        Author = {P.~P. Ewald},
818 +        Date-Added = {2006-03-13 13:32:04 -0500},
819 +        Date-Modified = {2006-03-16 22:39:27 -0500},
820 +        Journal = {Ann. Physik},
821 +        Pages = {253-287},
822 +        Title = {Die Berechnung optischer und elektrostatischer Gitterpotential},
823 +        Volume = {64},
824 +        Year = {1921}}
825 +
826 + @article{deLeeuw80,
827 +        Author = {S.~W. {de Leeuw} and J.~W. Perram and E.~R. Smith},
828 +        Date-Added = {2006-03-07 10:26:31 -0500},
829 +        Date-Modified = {2006-03-07 10:30:11 -0500},
830 +        Journal = {Proc. R. Soc. London Ser. A},
831 +        Number = {1752},
832 +        Pages = {27-56},
833 +        Title = {Simulation of Electostatic Systems in Periodic Boundary Conditions. I. Lattice Sums and Dielectric Constants},
834 +        Volume = {373},
835 +        Year = {1980}}
836  
837 + @article{Smith81,
838 +        Author = {E.~R. Smith},
839 +        Date-Added = {2006-03-16 13:47:17 -0500},
840 +        Date-Modified = {2006-03-16 13:48:34 -0500},
841 +        Journal = {Proc. R. Soc. London Ser. A},
842 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Smith_ElectrostaticEnergyInIonicCrystals_81.pdf},
843 +        Pages = {475-505},
844 +        Title = {Electrostatic Energy in Ionic Crystals},
845 +        Volume = {375},
846 +        Year = {1981}}
847 +
848 + @book{Allen87,
849 +        Address = {New York},
850 +        Author = {M.~P. Allen and D.~J. Tildesley},
851 +        Date-Modified = {2006-02-15 10:08:08 -0500},
852 +        Publisher = {Oxford University Press},
853 +        Title = {Computer Simulations of Liquids},
854 +        Year = 1987}
855 +
856 + @article{Spohr97,
857 +        Author = {E. Spohr},
858 +        Date-Added = {2006-03-18 18:51:02 -0500},
859 +        Date-Modified = {2006-03-18 18:52:21 -0500},
860 +        Journal = {J. Chem. Phys.},
861 +        Number = {16},
862 +        Pages = {6342-6348},
863 +        Title = {Effect of electrostatic boundary conditions and system size on the interfacial properties of water and aqueous solutions},
864 +        Volume = {107},
865 +        Year = {1997}}
866 +
867 + @article{Yeh99,
868 +        Author = {I.-C. Yeh and M.~L. Berkowitz},
869 +        Date-Added = {2006-03-18 19:24:27 -0500},
870 +        Date-Modified = {2006-03-18 19:26:08 -0500},
871 +        Journal = {J. Chem. Phys.},
872 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Yeh_SlabCorrectionEwald_99.pdf},
873 +        Number = {7},
874 +        Pages = {3155-3162},
875 +        Title = {Ewald summation for systems with slab geometry},
876 +        Volume = {111},
877 +        Year = {1999}}
878 +
879 + @article{Kawata01,
880 +        Author = {M. Kawata and M. Mikami},
881 +        Date-Added = {2006-04-26 09:38:01 -0400},
882 +        Date-Modified = {2006-04-26 09:40:11 -0400},
883 +        Journal = {Chem. Phys. Lett.},
884 +        Pages = {157-164},
885 +        Title = {Rapid calculation of two-dimensional Ewald summation},
886 +        Volume = {340},
887 +        Year = {2001}}
888 +
889 + @article{Arnold02,
890 +        Author = {A. Arnold and J. {de Joannis} and C. Holm},
891 +        Date-Added = {2006-04-26 09:36:09 -0400},
892 +        Date-Modified = {2006-04-26 09:37:52 -0400},
893 +        Doi = {10.1063/1.1491955},
894 +        Journal = {J. Chem. Phys.},
895 +        Number = {6},
896 +        Pages = {2496-2502},
897 +        Title = {Electrostatics in periodic slab geometries. I},
898 +        Volume = {117},
899 +        Year = {2002}}
900 +
901 + @article{deJoannis02,
902 +        Author = {J. {de Joannis} and A. Arnold and C. Holm},
903 +        Date-Added = {2006-04-26 09:40:15 -0400},
904 +        Date-Modified = {2006-04-26 09:45:19 -0400},
905 +        Doi = {10.1063/1.1491954},
906 +        Journal = {J. Chem. Phys.},
907 +        Number = {6},
908 +        Pages = {2503-2512},
909 +        Title = {Electrostatics in periodic slab geometries. II},
910 +        Volume = {117},
911 +        Year = {2002}}
912 +
913 + @article{Brodka04,
914 +        Author = {A. Br\'{o}dka},
915 +        Date-Added = {2006-04-26 09:41:52 -0400},
916 +        Date-Modified = {2006-04-26 09:43:52 -0400},
917 +        Doi = {10.1016/j.cplett.2004.10.086},
918 +        Journal = {Chem. Phys. Lett.},
919 +        Pages = {62-67},
920 +        Title = {Ewald summation method with electrostatic layer correction for interactions of point dipoles in slab geometry},
921 +        Volume = {400},
922 +        Year = {2004}}
923 +
924 + @article{Roberts95,
925 +        Author = {J.~E. Roberts and J. Schnitker},
926 +        Date-Added = {2006-03-18 20:12:23 -0500},
927 +        Date-Modified = {2006-03-18 20:13:36 -0500},
928 +        Journal = {J. Phys. Chem.},
929 +        Pages = {1322-1331},
930 +        Title = {Boundary Conditions in Sumulations of Aqueous Ionic Solutions: A Systematic Study},
931 +        Volume = {99},
932 +        Year = {1995}}
933 +
934 + @article{Roberts94,
935 +        Author = {J.~E. Roberts and J. Schnitker},
936 +        Date-Added = {2006-03-18 20:10:37 -0500},
937 +        Date-Modified = {2006-03-18 20:12:19 -0500},
938 +        Journal = {J. Chem. Phys.},
939 +        Number = {6},
940 +        Pages = {5024-5031},
941 +        Title = {How the unit cell surface charge distriubution affects the energetics of ion-solvent interactions in simulations},
942 +        Volume = {101},
943 +        Year = {1994}}
944 +
945 + @article{Luty96,
946 +        Author = {B.~A. Luty and W.~F. {van~Gunsteren}},
947 +        Date-Added = {2006-03-18 20:59:19 -0500},
948 +        Date-Modified = {2006-03-18 21:00:33 -0500},
949 +        Journal = {J. Phys. Chem.},
950 +        Number = {7},
951 +        Pages = {2581-2587},
952 +        Title = {Calculating Electrostatic Interactions Using the Particle-Particle Particle-Mesh Method with Nonperiodic Long-Range Interactions},
953 +        Volume = {100},
954 +        Year = {1996}}
955 +
956 + @article{Hunenberger99a,
957 +        Author = {P.~H. H\"{u}nenberger and J.~A. McCammon},
958 +        Date-Added = {2006-03-18 20:14:24 -0500},
959 +        Date-Modified = {2006-03-18 20:16:01 -0500},
960 +        Journal = {J. Chem. Phys.},
961 +        Number = {4},
962 +        Pages = {1856-1872},
963 +        Title = {Ewald artifacts in computer simulations of ionic solvation and ion -- ion interaction: A continuum electrostatics study},
964 +        Volume = {110},
965 +        Year = {1999}}
966 +
967 + @article{Hunenberger99b,
968 +        Author = {P.~H. H\"{u}nenberger and J.~A. McCammon},
969 +        Date-Added = {2006-03-16 09:45:10 -0500},
970 +        Date-Modified = {2006-03-18 20:16:16 -0500},
971 +        Journal = {Biophys. Chem.},
972 +        Pages = {69-88},
973 +        Title = {Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study},
974 +        Volume = {78},
975 +        Year = {1999}}
976 +
977 + @article{Weber00,
978 +        Author = {W. Weber and P.~H. H\"{u}nenberger and J.~A. McCammon},
979 +        Date-Added = {2006-03-16 09:49:22 -0500},
980 +        Date-Modified = {2006-03-16 09:51:17 -0500},
981 +        Doi = {10.1021/jp9937757},
982 +        Journal = {J. Phys. Chem. B},
983 +        Number = {15},
984 +        Pages = {3668-3675},
985 +        Title = {Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions: Influence of Artificial Periodicity on Peptide Conformation},
986 +        Volume = {104},
987 +        Year = {2000}}
988 +
989 + @article{Meineke05,
990 +        Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
991 +        Date-Modified = {2006-03-05 12:37:31 -0500},
992 +        Journal = {J. Comp. Chem.},
993 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Meineke_OOPSE_05.pdf},
994 +        Pages = {252-271},
995 +        Title = {OOPSE: An Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
996 +        Volume = 26,
997 +        Year = 2005}
998 +

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