795 |
|
@Article{Brooks83, |
796 |
|
author = {B.~R. Brooks and R.~E. Bruccoleri and B.~D. Olafson |
797 |
|
and D.~J. States and S. Swaminathan and M. Karplus}, |
798 |
< |
title = {CHARMM: A Program for Macromolecular Energy, Minimization, and Dynamics Calculations}, |
798 |
> |
title = {{\sc charmm}: A Program for Macromolecular Energy, Minimization, and Dynamics Calculations}, |
799 |
|
journal = {J. Comp. Chem.}, |
800 |
|
year = 1983, |
801 |
|
volume = 4, |
806 |
|
author = {A.~D. {MacKerell, Jr.} and B. Brooks and |
807 |
|
C.~L. {Brooks III} and L. Nilsson and B. Roux and |
808 |
|
Y. Won and and M. Karplus}, |
809 |
< |
title = {CHARMM: The Energy Function and Its Parameterization |
809 |
> |
title = {{\sc charmm}: The Energy Function and Its Parameterization |
810 |
|
with an Overview of the Program}, |
811 |
|
booktitle = {The Encyclopedia of Computational Chemistry}, |
812 |
|
pages = {271-277}, |
910 |
|
author = {Y. Qi and T. \c{C}a\v{g}in and Y. |
911 |
|
Kimura and W.~A. {Goddard III}}, |
912 |
|
title = {Molecular-dynamics simulations of glass formation |
913 |
< |
and crystallization in binary liquid metals: Cu-Ag |
914 |
< |
and Cu-Ni}, |
913 |
> |
and crystallization in binary liquid metals: $\mbox{Cu-Ag}$ |
914 |
> |
and $\mbox{Cu-Ni}$}, |
915 |
|
journal = prb, |
916 |
|
year = 1999, |
917 |
|
volume = 59, |
981 |
|
|
982 |
|
@Article{Chen90, |
983 |
|
author = {A.~P. Sutton and J. Chen}, |
984 |
< |
title = {Long-Range Finnis Sinclair Potentials}, |
984 |
> |
title = {Long-Range $\mbox{Finnis Sinclair}$ Potentials}, |
985 |
|
journal = {Phil. Mag. Lett.}, |
986 |
|
year = 1990, |
987 |
|
volume = 61, |
1319 |
|
|
1320 |
|
@Article{Li2001, |
1321 |
|
author = {Z. Li and M. Lieberman and W. Hill}, |
1322 |
< |
title = {XPS and SERS Study of Silicon Phthalocyanine |
1322 |
> |
title = {{\sc xps} and {\sc sers} Study of Silicon Phthalocyanine |
1323 |
|
Monolayers: umbrella vs. octopus design strategies |
1324 |
< |
for formation of oriented SAMs}, |
1324 |
> |
for formation of oriented {\sc sam}s}, |
1325 |
|
journal = {Langmuir}, |
1326 |
|
year = 2001, |
1327 |
< |
note = {submitted} |
1327 |
> |
volume = 17, |
1328 |
> |
pages = {4887-4894} |
1329 |
|
} |
1330 |
|
|
1331 |
|
@Article{Evans1993, |
1340 |
|
|
1341 |
|
@Article{Dwyer1977, |
1342 |
|
author = {D.~J. Dwyer and G.~W. Simmons and R.~P. Wei}, |
1343 |
< |
title = {unknown}, |
1343 |
> |
title = {}, |
1344 |
|
journal = {Surf. Sci.}, |
1345 |
|
year = 1977, |
1346 |
|
volume = 64, |
1349 |
|
|
1350 |
|
@Article{Macritche1978, |
1351 |
|
author = {F. MacRitche}, |
1352 |
< |
title = {unknown}, |
1352 |
> |
title = {}, |
1353 |
|
journal = {Adv. Protein Chem.}, |
1354 |
|
year = 1978, |
1355 |
|
volume = 32, |
1358 |
|
|
1359 |
|
@Article{Feder1980, |
1360 |
|
author = {J. Feder}, |
1361 |
< |
title = {unknown}, |
1361 |
> |
title = {}, |
1362 |
|
journal = {J. Theor. Biol.}, |
1363 |
|
year = 1980, |
1364 |
|
volume = 87, |
1367 |
|
|
1368 |
|
@Article{Ramsden1993, |
1369 |
|
author = {J.~J. Ramsden}, |
1370 |
< |
title = {unknown}, |
1370 |
> |
title = {}, |
1371 |
|
journal = prl, |
1372 |
|
year = 1993, |
1373 |
|
volume = 71, |
1377 |
|
|
1378 |
|
@Article{Egelhoff1989, |
1379 |
|
author = {W.~F. Egelhoff and I. Jacob}, |
1380 |
< |
title = {unknown}, |
1380 |
> |
title = {}, |
1381 |
|
journal = prl, |
1382 |
|
year = 1989, |
1383 |
|
volume = 62, |
1407 |
|
|
1408 |
|
@Article{Dobson1987, |
1409 |
|
author = {B.~W. Dobson}, |
1410 |
< |
title = {unknown}, |
1410 |
> |
title = {}, |
1411 |
|
journal = prb, |
1412 |
|
year = 1987, |
1413 |
|
volume = 36, |
1416 |
|
|
1417 |
|
@Article{Boyer1995, |
1418 |
|
author = {D. Boyer and P. Viot and G. Tarjus and J. Talbot}, |
1419 |
< |
title = {PERCUS-YEVICK-LIKE INTERGRAL EQUATION FOR RANDOM SEQUENTIAL |
1419 |
> |
title = {PERCUS-$\mbox{Y}$EVICK-LIKE INTERGRAL EQUATION FOR RANDOM SEQUENTIAL |
1420 |
|
ADSORPTION}, |
1421 |
|
journal = jcp, |
1422 |
|
year = 1995, |
1526 |
|
|
1527 |
|
@Article{liu96:monte_carlo, |
1528 |
|
author = {Y. Liu and T. Ichiye}, |
1529 |
< |
title = {The static dielectric constant of the soft sticky dipole model of liquid water: MOnte Carlo simulation}, |
1529 |
> |
title = {The static dielectric constant of the soft sticky dipole model of liquid water: $\mbox{Monte Carlo}$ simulation}, |
1530 |
|
journal = {Chemical Physics Letters}, |
1531 |
|
year = 1996, |
1532 |
|
volume = 256, |
1583 |
|
|
1584 |
|
@Article{venable00, |
1585 |
|
author = {R.~M. Venable and B.~R. Brooks and R.~W. Pastor}, |
1586 |
< |
title = {MOlecular dynamics simulations of gel ($L_{\betaI}$) phase lipid bilayers in constant pressure and constant surface area ensembles}, |
1586 |
> |
title = {Molecular dynamics simulations of gel ($L_{\beta I}$) phase lipid bilayers in constant pressure and constant surface area ensembles}, |
1587 |
|
journal = jcp, |
1588 |
|
year = 2000, |
1589 |
|
volume = 112, |
1593 |
|
|
1594 |
|
@Article{lindahl00, |
1595 |
|
author = {E. Lindahl and O. Edholm}, |
1596 |
< |
title = {Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamicxs simulations}, |
1596 |
> |
title = {Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations}, |
1597 |
|
journal = {Biophysical Journal}, |
1598 |
|
year = 2000, |
1599 |
|
volume = 79, |
1664 |
|
|
1665 |
|
@Article{metropolis:1949, |
1666 |
|
author = {N. Metropolis and S. Ulam}, |
1667 |
< |
title = {The Monte Carlo Method}, |
1667 |
> |
title = {The $\mbox{Monte Carlo}$ Method}, |
1668 |
|
journal = {J. Am. Stat. Ass.}, |
1669 |
|
year = 1949, |
1670 |
|
volume = 44, |
1689 |
|
number = {297-309} |
1690 |
|
} |
1691 |
|
|
1692 |
+ |
@Book{chandler:1987, |
1693 |
+ |
author = {David Chandler}, |
1694 |
+ |
title = {Introduction to Modern Statistical Mechanics}, |
1695 |
+ |
publisher = {Oxford University Press}, |
1696 |
+ |
year = 1987 |
1697 |
+ |
} |
1698 |
+ |
|
1699 |
+ |
|
1700 |
+ |
@Article{pearlman:1995, |
1701 |
+ |
author = {David~A. Pearlman and David~A. Case and James~W. Caldwell and Wilson~S. Ross and Thomas~E. Cheatham~III and Steve DeBolt and David Ferguson and George Seibel and Peter Kollman}, |
1702 |
+ |
title = {{\sc amber}, a package of computer programs for applying molecular mechanics. normal mode analysis, molecular dynamics, and free energy calculations to simulate the structural and energetic properties of molecules}, |
1703 |
+ |
journal = {Computer Physics Communications}, |
1704 |
+ |
year = 1995, |
1705 |
+ |
volume = 91, |
1706 |
+ |
pages = {1-41} |
1707 |
+ |
} |
1708 |
+ |
|
1709 |
+ |
@Book{Goldstein01, |
1710 |
+ |
author = {H. Goldstein and C. Poole and J. Safko}, |
1711 |
+ |
title = {Classical Mechanics}, |
1712 |
+ |
publisher = {Addison Wesley}, |
1713 |
+ |
year = 2001, |
1714 |
+ |
address = {San Francisco}, |
1715 |
+ |
edition = {3rd} |
1716 |
+ |
} |
1717 |
+ |
|
1718 |
+ |
@Article{Bratko85, |
1719 |
+ |
author = {D. Bratko and L. Blum and A. Luzar}, |
1720 |
+ |
title = {A simple model for the intermolecular potential of water}, |
1721 |
+ |
journal = jcp, |
1722 |
+ |
year = 1985, |
1723 |
+ |
volume = 83, |
1724 |
+ |
number = 12, |
1725 |
+ |
pages = {6367-6370} |
1726 |
+ |
} |
1727 |
+ |
|
1728 |
+ |
@Article{Bratko95, |
1729 |
+ |
author = {L. Blum and F. Vericat and D. Bratko}, |
1730 |
+ |
title = {Towards an analytical model of water: The octupolar model}, |
1731 |
+ |
journal = jcp, |
1732 |
+ |
year = 1995, |
1733 |
+ |
volume = 102, |
1734 |
+ |
number = 3, |
1735 |
+ |
pages = {1461-1462} |
1736 |
+ |
} |
1737 |
+ |
|
1738 |
+ |
@Article{Ichiye03, |
1739 |
+ |
author = {M.-L. Tan and J.~T. Fischer and A. Chandra and B.~R. Brooks |
1740 |
+ |
and T. Ichiye}, |
1741 |
+ |
title = {A temperature of maximum density in soft sticky dipole |
1742 |
+ |
water}, |
1743 |
+ |
journal = cpl, |
1744 |
+ |
year = 2003, |
1745 |
+ |
volume = 376, |
1746 |
+ |
pages = {646-652}, |
1747 |
+ |
} |
1748 |
+ |
|
1749 |
+ |
|
1750 |
+ |
@Article{Soper86, |
1751 |
+ |
author = {A.~K. Soper and M.~G. Phillips}, |
1752 |
+ |
title = {A new determination of the structure of water at 298K}, |
1753 |
+ |
journal = cp, |
1754 |
+ |
year = 1986, |
1755 |
+ |
volume = 107, |
1756 |
+ |
number = 1, |
1757 |
+ |
pages = {47-60}, |
1758 |
+ |
} |
1759 |
+ |
|
1760 |
+ |
@Article{plimpton95, |
1761 |
+ |
author = {S. Plimpton}, |
1762 |
+ |
title = {Fast Parallel Algorithms for Short-Range Molecular Dymanics}, |
1763 |
+ |
journal = {J. Comp. Phys.}, |
1764 |
+ |
year = 1995, |
1765 |
+ |
volume = 117, |
1766 |
+ |
pages = {1-19}, |
1767 |
+ |
} |
1768 |
+ |
|
1769 |
+ |
@Article{plimpton93, |
1770 |
+ |
author = {S.~J. Plimpton and B.~A. Hendrickson}, |
1771 |
+ |
title = {Parallel Molecular Dynamics with the Embedded Atom Method}, |
1772 |
+ |
journal = {MRS Proceedings}, |
1773 |
+ |
year = 1993, |
1774 |
+ |
volume = 291, |
1775 |
+ |
pages = 37 |
1776 |
+ |
} |
1777 |
+ |
|
1778 |
+ |
|
1779 |
+ |
@Article{Ercolessi02, |
1780 |
+ |
author = {U. Tartaglino and E. Tosatti and D. Passerone and F. Ercolessi}, |
1781 |
+ |
title = {Bending strain-driven modification of surface resconstructions: Au(111)}, |
1782 |
+ |
journal = prb, |
1783 |
+ |
year = 2002, |
1784 |
+ |
volume = 65, |
1785 |
+ |
pages = 241406 |
1786 |
+ |
} |
1787 |
+ |
|
1788 |
+ |
@Article{Ercolessi88, |
1789 |
+ |
author = {F. Ercolessi and M. Parrinello and E. Tosatti}, |
1790 |
+ |
title = {Simulation of Gold in the Glue Model.}, |
1791 |
+ |
journal = {Philosophical Magazine A}, |
1792 |
+ |
year = 1988, |
1793 |
+ |
volume = 58, |
1794 |
+ |
pages = {213-226} |
1795 |
+ |
} |
1796 |
+ |
|
1797 |
+ |
@Article{Finnis84, |
1798 |
+ |
author = {M.~W Finnis and J.~E. Sinclair }, |
1799 |
+ |
title = {A Simple Empirical N-Body Potential for Transition-Metals}, |
1800 |
+ |
journal = {Phil. Mag. A}, |
1801 |
+ |
year = 1984, |
1802 |
+ |
volume = 50, |
1803 |
+ |
pages = {45-55} |
1804 |
+ |
} |
1805 |
+ |
|
1806 |
+ |
@Article{FBD86, |
1807 |
+ |
author = {S.~M. Foiles and M.~I. Baskes and M.~S. Daw}, |
1808 |
+ |
title = {Embedded-atom-method functions for the fcc metals |
1809 |
+ |
$\mbox{Cu, Ag, Au, Ni, Pd, Pt}$, and their alloys}, |
1810 |
+ |
journal = prb, |
1811 |
+ |
year = 1986, |
1812 |
+ |
volume = 33, |
1813 |
+ |
number = 12, |
1814 |
+ |
pages = 7983 |
1815 |
+ |
} |
1816 |
+ |
|
1817 |
+ |
@Article{johnson89, |
1818 |
+ |
author = {R.~A. Johnson}, |
1819 |
+ |
title = {Alloy models with the embedded-atom method}, |
1820 |
+ |
journal = prb, |
1821 |
+ |
year = 1989, |
1822 |
+ |
volume = 39, |
1823 |
+ |
number = 17, |
1824 |
+ |
pages = 12554 |
1825 |
+ |
} |
1826 |
+ |
|
1827 |
+ |
@Article{Laird97, |
1828 |
+ |
author = {A. Kol and B.~B. Laird and B.~J. Leimkuhler}, |
1829 |
+ |
title = {A symplectic method for rigid-body molecular simulation}, |
1830 |
+ |
journal = jcp, |
1831 |
+ |
year = 1997, |
1832 |
+ |
volume = 107, |
1833 |
+ |
number = 7, |
1834 |
+ |
pages = {2580-2588} |
1835 |
+ |
} |
1836 |
+ |
|
1837 |
+ |
|
1838 |
+ |
@Article{hoover85, |
1839 |
+ |
author = {W.~G. Hoover}, |
1840 |
+ |
title = {Canonical dynamics: Equilibrium phase-space distributions}, |
1841 |
+ |
journal = pra, |
1842 |
+ |
year = 1985, |
1843 |
+ |
volume = 31, |
1844 |
+ |
pages = 1695 |
1845 |
+ |
} |
1846 |
+ |
|
1847 |
+ |
@Article{Roux91, |
1848 |
+ |
author = {B. Roux and M. Karplus}, |
1849 |
+ |
title = {Ion transport in a Gramicidin-like channel: dynamics and mobility}, |
1850 |
+ |
journal = jpc, |
1851 |
+ |
year = 1991, |
1852 |
+ |
volume = 95, |
1853 |
+ |
number = 15, |
1854 |
+ |
pages = {4856-4868} |
1855 |
+ |
} |
1856 |
+ |
|
1857 |
+ |
|
1858 |
+ |
@Article{Marrink94, |
1859 |
+ |
author = {S.~J Marrink and H.~J.~C. Berendsen}, |
1860 |
+ |
title = {Simulation of water transport through a lipid membrane}, |
1861 |
+ |
journal = jpc, |
1862 |
+ |
year = 1994, |
1863 |
+ |
volume = 98, |
1864 |
+ |
number = 15, |
1865 |
+ |
pages = {4155-4168} |
1866 |
+ |
} |
1867 |
+ |
|
1868 |
+ |
|
1869 |
+ |
@Article{Daw89, |
1870 |
+ |
author = {Murray~S. Daw}, |
1871 |
+ |
title = {Model of metallic cohesion: The embedded-atom method}, |
1872 |
+ |
journal = {Physical Review B}, |
1873 |
+ |
year = 1989, |
1874 |
+ |
volume = 39, |
1875 |
+ |
pages = {7441-7452} |
1876 |
+ |
} |
1877 |
+ |
|
1878 |
+ |
@InBook{voter, |
1879 |
+ |
author = {A.~F. Voter}, |
1880 |
+ |
editor = {J.~H. Westbrook and R.~L. Fleischer}, |
1881 |
+ |
title = {Intermetallic Compounds: Principles and Practice}, |
1882 |
+ |
chapter = 4, |
1883 |
+ |
publisher = {John Wiley and Sons Ltd}, |
1884 |
+ |
year = 1995, |
1885 |
+ |
volume = 1, |
1886 |
+ |
pages = 77 |
1887 |
+ |
} |
1888 |
+ |
|
1889 |
+ |
@Article{marrink:2002, |
1890 |
+ |
author = {S.~J. Marrink and D.~P. Teileman}, |
1891 |
+ |
title = {Molecular Dynamics Simulation of Spontaneous Membrane Fusion during a Cubic-Hexagonal Phase Transition}, |
1892 |
+ |
journal = {Biophysical Journal}, |
1893 |
+ |
year = 2002, |
1894 |
+ |
volume = 83, |
1895 |
+ |
pages = {2386-2392} |
1896 |
+ |
} |
1897 |
+ |
|
1898 |
+ |
@Article{sum:2003, |
1899 |
+ |
author = {A.~K. Sum and J.~J. de~Pablo}, |
1900 |
+ |
title = {Molecular Simulation Study on the influence of Dimethylsulfoxide on the structure of Phospholipid Bilayers}, |
1901 |
+ |
journal = {Biophysical Journal}, |
1902 |
+ |
year = 2003, |
1903 |
+ |
volume = 85, |
1904 |
+ |
pages = {3636-3645} |
1905 |
+ |
} |
1906 |
+ |
|
1907 |
+ |
@Article{gomez:2003, |
1908 |
+ |
author = {J.~D. Faraldo-Gomez and G.~R. Smith and M.~S.P. Sansom}, |
1909 |
+ |
title = {Setting up and optimization of membrane protein simulations}, |
1910 |
+ |
journal = {Eur. Biophys. J.}, |
1911 |
+ |
year = 2002, |
1912 |
+ |
volume = 31, |
1913 |
+ |
pages = {217-227} |
1914 |
+ |
} |
1915 |
+ |
|
1916 |
+ |
|
1917 |
+ |
@Article{smondyrev:1999, |
1918 |
+ |
author = {A.~M. Smondyrev and M.~L. Berkowitz}, |
1919 |
+ |
title = {Molecular Dynamics Simulation of {\sc dppc} Bilayer in {\sc dmso}}, |
1920 |
+ |
journal = {Biophysical Journal}, |
1921 |
+ |
year = 1999, |
1922 |
+ |
volume = 76, |
1923 |
+ |
pages = {2472-2478} |
1924 |
+ |
} |
1925 |
+ |
|
1926 |
+ |
@Article{nina:2002, |
1927 |
+ |
author = {M. Nina and T. Simonson}, |
1928 |
+ |
title = {Molecular Dynamics of the $\text{tRNA}^{\text{Ala}}$ Acceptor Stem: Comparison between Continuum Reaction Field and Particle-Mesh Ewald Electrostatic Treatments}, |
1929 |
+ |
journal = {J. Phys. Chem. B}, |
1930 |
+ |
year = 2002, |
1931 |
+ |
volume = 106, |
1932 |
+ |
pages = {3696-3705} |
1933 |
+ |
} |
1934 |
+ |
|
1935 |
+ |
@Article{norberg:2000, |
1936 |
+ |
author = {J. Norberg and L. Nilsson}, |
1937 |
+ |
title = {On the truncation of Long-Range Electrostatic Interactions in {\sc dna}}, |
1938 |
+ |
journal = {Biophysical Journal}, |
1939 |
+ |
year = 2000, |
1940 |
+ |
volume = 79, |
1941 |
+ |
pages = {1537-1553} |
1942 |
+ |
} |
1943 |
+ |
|
1944 |
+ |
@Article{patra:2003, |
1945 |
+ |
author = {M. Patra and M. Karttunen and M.~T. Hyv\"{o}nen and E. Falk and P. Lindqvist and I. Vattulainen}, |
1946 |
+ |
title = {Molecular Dynamics Simulations of Lipid Bilayers: Major Artifacts Due to Truncating Electrostatic Interactions}, |
1947 |
+ |
journal = {Biophysical Journal}, |
1948 |
+ |
year = 2003, |
1949 |
+ |
volume = 84, |
1950 |
+ |
pages = {3636-3645} |
1951 |
+ |
} |
1952 |
+ |
|
1953 |
+ |
@Article{marrink04, |
1954 |
+ |
author = {S.~J. Marrink and A.~H. de~Vries and A.~E. Mark}, |
1955 |
+ |
title = {Coarse Grained Model for Semiquantitative Lipid Simulations}, |
1956 |
+ |
journal = {J. Phys. Chem. B}, |
1957 |
+ |
year = 2004, |
1958 |
+ |
volume = 108, |
1959 |
+ |
pages = {750-760} |
1960 |
+ |
} |
1961 |
+ |
|
1962 |
+ |
@Article{andersen83, |
1963 |
+ |
author = {H.~C. Andersen}, |
1964 |
+ |
title = {{\sc rattle}: A Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations}, |
1965 |
+ |
journal = {Journal of Computational Physics}, |
1966 |
+ |
year = 1983, |
1967 |
+ |
volume = 52, |
1968 |
+ |
pages = {24-34} |
1969 |
+ |
} |
1970 |
+ |
|
1971 |
+ |
@Article{hura00, |
1972 |
+ |
author = {G. Hura and J.~M. Sorenson and R.~M. Glaeser and T. Head-Gordon}, |
1973 |
+ |
title = {A high-quality x-ray scattering experiment on liquid water at ambient conditions}, |
1974 |
+ |
journal = {J. Chem. Phys.}, |
1975 |
+ |
year = 2000, |
1976 |
+ |
volume = 113, |
1977 |
+ |
pages = {9140-9148} |
1978 |
+ |
} |
1979 |
+ |
|
1980 |
+ |
|
1981 |
+ |
@Article{ryckaert77, |
1982 |
+ |
author = {J.~P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen}, |
1983 |
+ |
title = {Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes}, |
1984 |
+ |
journal = {Journal of Computational Physics}, |
1985 |
+ |
year = 1977, |
1986 |
+ |
volume = 23, |
1987 |
+ |
pages = {327-341} |
1988 |
+ |
} |
1989 |
+ |
|
1990 |
+ |
|
1991 |
+ |
@InBook{fowles99:lagrange, |
1992 |
+ |
author = {G.~R. Fowles and G.~L. Cassiday}, |
1993 |
+ |
title = {Analytical Mechanics}, |
1994 |
+ |
chapter = 10, |
1995 |
+ |
publisher = {Saunders College Publishing}, |
1996 |
+ |
year = 1999, |
1997 |
+ |
edition = {6th} |
1998 |
+ |
} |
1999 |
+ |
|
2000 |
+ |
@Article{petrache00, |
2001 |
+ |
author = {H.~I. Petrache and S.~W. Dodd and M.~F. Brown}, |
2002 |
+ |
title = {Area per Lipid and Acyl Length Distributions in Fluid Phosphatidylcholines Determined by $^2\text{H}$ {\sc nmr} Spectroscopy}, |
2003 |
+ |
journal = {Biophysical Journal}, |
2004 |
+ |
year = 2000, |
2005 |
+ |
volume = 79, |
2006 |
+ |
pages = {3172-3192} |
2007 |
+ |
} |
2008 |
+ |
|
2009 |
+ |
@Article{egberts88, |
2010 |
+ |
author = {E. Egberts and H.~J.~C. Berendsen}, |
2011 |
+ |
title = {Molecular Dynamics Simulation of a smectic liquid crystal with atomic detail}, |
2012 |
+ |
journal = {J. Chem. Phys.}, |
2013 |
+ |
year = 1988, |
2014 |
+ |
volume = 89, |
2015 |
+ |
pages = {3718-3732} |
2016 |
+ |
} |
2017 |
+ |
|
2018 |
+ |
@Article{Holz00, |
2019 |
+ |
author = {M. Holz and S.~R. Heil and A. Sacco}, |
2020 |
+ |
title = {Temperature-dependent self-diffusion coefficients of |
2021 |
+ |
water and six selected molecular liquids for calibration |
2022 |
+ |
in accurate $^1${\sc h} {\sc nmr pfg} measurements}, |
2023 |
+ |
journal = {Phys. Chem. Chem. Phys.}, |
2024 |
+ |
year = 2000, |
2025 |
+ |
volume = 2, |
2026 |
+ |
pages = {4740-4742}, |
2027 |
+ |
} |
2028 |
+ |
|
2029 |
+ |
@InCollection{zannoni94, |
2030 |
+ |
author = {C. Zannoni}, |
2031 |
+ |
title = {An introduction to the molecular dynamics method and to orientational dynamics in liquid crystals}, |
2032 |
+ |
booktitle = {The Molecular Dynamics of Liquid Crstals}, |
2033 |
+ |
pages = {139-169}, |
2034 |
+ |
publisher = {Kluwer Academic Publishers}, |
2035 |
+ |
year = 1994, |
2036 |
+ |
editor = {G.~R. Luckhurst and C.~A. Veracini}, |
2037 |
+ |
chapter = 6 |
2038 |
+ |
} |
2039 |
+ |
|
2040 |
+ |
|
2041 |
+ |
@Article{melchionna93, |
2042 |
+ |
author = {S. Melchionna and G. Ciccotti and B.~L. Holian}, |
2043 |
+ |
title = {Hoover {\sc npt} dynamics for systems varying in shape and size}, |
2044 |
+ |
journal = {Molecular Physics}, |
2045 |
+ |
year = 1993, |
2046 |
+ |
volume = 78, |
2047 |
+ |
pages = {533-544} |
2048 |
+ |
} |
2049 |
+ |
|
2050 |
+ |
@Article{fennell04, |
2051 |
+ |
author = {C.~J. Fennell and J.~D. Gezelter}, |
2052 |
+ |
title = {On the structural and transport properties of the soft sticky dipole(SSD) and related single point water models}, |
2053 |
+ |
journal = {J. Chem. Phys}, |
2054 |
+ |
year = {in press 2004} |
2055 |
+ |
} |
2056 |
+ |
|
2057 |
+ |
@Article{klein01, |
2058 |
+ |
author = {J.~C. Shelley andf M.~Y. Shelley and R.~C. Reeder and S. Bandyopadhyay and M.~L. Klein}, |
2059 |
+ |
title = {A coarse Grain Model for Phospholipid Simulations}, |
2060 |
+ |
journal = {J. Phys. Chem. B}, |
2061 |
+ |
year = 2001, |
2062 |
+ |
volume = 105, |
2063 |
+ |
pages = {4464-4470} |
2064 |
+ |
} |
2065 |
+ |
|
2066 |
+ |
|
2067 |
+ |
@Article{marrink03:vesicles, |
2068 |
+ |
author = {S.~J. Marrink and A.~E. Mark}, |
2069 |
+ |
title = {Molecular Dynaimcs Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles}, |
2070 |
+ |
journal = {J. Am. Chem. Soc.}, |
2071 |
+ |
year = 2003, |
2072 |
+ |
volume = 125, |
2073 |
+ |
pages = {15233-15242} |
2074 |
+ |
} |
2075 |
+ |
|