Simulating Molecular Properties of Liquid Crystals
暂无分享,去创建一个
[1] R. Feynman. Forces in Molecules , 1939 .
[2] M. Miȩsowicz. The Three Coefficients of Viscosity of Anisotropic Liquids , 1946, Nature.
[3] L. Onsager. THE EFFECTS OF SHAPE ON THE INTERACTION OF COLLOIDAL PARTICLES , 1949 .
[4] W. Kohn,et al. Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .
[5] J. R. Mccoll,et al. Temperature Dependence of Orientational Order in a Nematic Liquid Crystal at Constant Molar Volume , 1972 .
[6] D. Langevin. Analyse spectrale de la lumière diffusée par la surface libre d'un cristal liquide nématique. Mesure de la tension superficielle et des coefficients de viscosité , 1972 .
[7] William A. Steele,et al. The physical interaction of gases with crystalline solids: I. Gas-solid energies and properties of isolated adsorbed atoms☆ , 1973 .
[8] Y. Shen,et al. Molecular theory of orientational fluctuations and optical Kerr effect in the isotropic phase of a liquid crystal , 1974 .
[9] W. Howells,et al. The self-diffusion tensor for two nematic liquid crystals from incoherent quasi-elastic neutron scattering at low momentum transfer , 1975 .
[10] P. Cladis. New Liquid-Crystal Phase Diagram , 1975 .
[11] Jean-Paul Ryckaert,et al. Molecular dynamics of liquid n-butane near its boiling point , 1975 .
[12] A. Tam,et al. Oscillating laser-production of particulates in a Cs/D2 vapor , 1977 .
[13] S. Walmsley. Gaussian model potentials for molecular interactions and their development , 1977 .
[14] R. Horn,et al. Molecular alignment in nematic liquid crystals: a comparison between the results of experiments at high pressure and predictions based on mean field theories , 1979, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.
[15] G. W. Gray,et al. The structure of smectic A phases of compounds with cyano end groups , 1979 .
[16] B. Berne. Modification of the overlap potential to mimic a linear site-site potential , 1981 .
[17] P. Collings,et al. High-pressure measurements in a homologous series of liquid crystals , 1982 .
[18] R. Richardson,et al. A comparative study of the molecular motions in the three smectic phases of isobutyl 4(4′ phenylbenzylideneamino) cinnamate using incoherent neutron scattering , 1982 .
[19] D. R. Hamann,et al. Pseudopotentials that work: From H to Pu , 1982 .
[20] G. Pelzl,et al. Order Parameter and Molecular Polarizabilities of Liquid Crystals with Nematic and Smectic Phases , 1983 .
[21] D. Dunmur,et al. Molecular Properties of Pentyl-Cyano Mesogens Having Different Core Structures , 1983 .
[22] D. Frenkel,et al. Phase diagram of a system of hard ellipsoids , 1984 .
[23] On the isotropic-liquid crystal phase separation in a solution of rodlike particles of different lengths , 1984 .
[24] G. W. Gray,et al. Synthesis and Evaluation of Some 4,4″-Disubstituted Lateral Fluoro-1,1′:4′,1″-terphenyls , 1985 .
[25] Daan Frenkel,et al. The hard ellipsoid-of-revolution fluid I. Monte Carlo simulations , 1985 .
[26] P. Flory,et al. Optical anisotropies of alkylcyanobiphenyls, alkoxycyanobiphenyls and related compounds , 1986 .
[27] A. Chmielewski. Viscosity Coefficients of Some Nematic Liquid Crystals , 1986 .
[28] G. R. Luckhurst,et al. The pressure and temperature dependence of the orientational order in the nematic phase of 4-n-pentyl-d11-4'-cyanobiphenyl. A deuterium NMR study , 1987 .
[29] G. Zerbi,et al. Molecular structural changes at the phase transitions in thermotropic liquid crystals: A spectroscopic study of 4‐dodecyloxy‐4’‐cyano biphenyl , 1987 .
[30] Frenkel,et al. Observation of dynamical precursors of the isotropic-nematic transition by computer simulation. , 1987, Physical review letters.
[31] D. Frenkel,et al. Calculation of liquid-crystal Frank constants by computer simulation. , 1988, Physical review. A, General physics.
[32] D. Frenkel,et al. Thermodynamic stability of a smectic phase in a system of hard rods , 1988, Nature.
[33] G. R. Luckhurst,et al. Non-symmetric dimeric liquid crystals The preparation and properties of the α-(4-cyanobiphenyl-4′-yloxy)-ω-(4-n-alkylanilinebenzylidene-4′-oxy)alkanes , 1988 .
[34] G. Zerbi,et al. Molecular flexibility of polymethylene molecules: A Raman spectroscopic study , 1988 .
[35] Daan Frenkel,et al. Structure of hard-core liquid crystals , 1988 .
[36] T. Sluckin. Polydispersity in liquid crystal systems , 1989 .
[37] Daan Frenkel,et al. Columnar ordering as an excluded volume effect , 1989 .
[38] Frenkel,et al. Phase diagram of a system of hard spherocylinders by computer simulation. , 1990, Physical review. A, Atomic, molecular, and optical physics.
[39] Allen,et al. Diffusion coefficient increases with density in hard ellipsoid liquid crystals. , 1990, Physical review letters.
[40] G. R. Luckhurst,et al. Computer simulation studies of anisotropic systems. XIX. Mesophases formed by the Gay-Berne model mesogen , 1990 .
[41] M. P. Allen. Computer simulation of a biaxial liquid crystal , 1990 .
[42] Frenkel,et al. Erratum: Calculation of liquid-crystal Frank constants by computer simulation , 1990, Physical review. A, Atomic, molecular, and optical physics.
[43] Shen,et al. Pretransitional surface ordering and disordering of a liquid crystal. , 1991, Physical review letters.
[44] Role of end chains in the reentrant behavior of a nonpolar system. , 1991, Physical review. A, Atomic, molecular, and optical physics.
[45] L. F. Rull,et al. LOCATION OF THE ISOTROPIC-NEMATIC TRANSITION IN THE GAY-BERNE MODEL , 1991 .
[46] Wei,et al. Orientational order in simple dipolar liquids: Computer simulation of a ferroelectric nematic phase. , 1992, Physical review letters.
[47] C. L. Rosa,et al. Liquid Crystalline Properties of p-n-alkoxybenzylidene-p-fluoroaniline , 1992 .
[48] T. Arias,et al. Iterative minimization techniques for ab initio total energy calculations: molecular dynamics and co , 1992 .
[49] S. Chandrasekhar. Liquid Crystals: Cholesteric liquid crystals , 1992 .
[50] Gubbins,et al. Dynamics of the Gay-Berne fluid. , 1992, Physical review. A, Atomic, molecular, and optical physics.
[51] Weis,et al. Orientational order in simple dipolar liquid-crystal models. , 1992, Physical review letters.
[52] S. Greenfield,et al. Nanosecond time scale dynamics of pseudo-nematic domains in the isotropic phase of liquid crystals , 1992 .
[53] Jackson,et al. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. , 1992, Physical review. B, Condensed matter.
[54] M. P. Allen,et al. Structure of trans-4-(trans-4-n-pentylcyclohexyl)cyclohexylcarbonitrile (CCH5) in the isotropic and nematic phases: a computer simulation study , 1992 .
[55] G. R. Luckhurst,et al. Computer simulation studies of anisotropic systems: XXI. Parametrization of the Gay-Berne potential for model mesogens , 1993 .
[56] Heine,et al. Optimized and transferable nonlocal separable ab initio pseudopotentials. , 1993, Physical review. B, Condensed matter.
[57] D. Lévesque,et al. Singlet orientational distribution function and dielectric permittivity of dipolar spherocylinders in the nematic phase , 1993 .
[58] M. P. Allen,et al. Computer simulation study of liquid crystal formation in a semi-flexible system of linked hard spheres , 1993 .
[59] S. Sarman,et al. Statistical mechanics of viscous flow in nematic fluids , 1993 .
[60] J. Janik,et al. Quasielastic scattering of neutrons by a liquid crystal substance with flexible molecules , 1993 .
[61] Daan Frenkel,et al. Hard convex body fluids , 1993 .
[62] Doane,et al. Curvature-induced configuration transition in confined nematic liquid crystals. , 1993, Physical review letters.
[63] Positional anchoring of smectic liquid crystals. , 1993, Physical review letters.
[64] T. Sluckin,et al. A model calculation of the surface elastic constants of a nematic liquid crystal , 1993 .
[65] Allen,et al. VO2: Peierls or Mott-Hubbard? A view from band theory. , 1994, Physical review letters.
[66] A. A. Minko,et al. Static and dynamic molecular properties of real and simulated PCH5 , 1994 .
[67] S. Sarman. Molecular dynamics of heat flow in nematic liquid crystals , 1994 .
[68] J. Brickmann,et al. Computer simulation studies of a model system for liquid crystals consisting of semiflexible molecules , 1994 .
[69] Clarke,et al. Surface dissociation from first principles: Dynamics and chemistry. , 1994, Physical review. B, Condensed matter.
[70] B. Fung,et al. A simplified approach to molecular dynamics simulations of liquid crystals with atom–atom potentials , 1994 .
[71] G. D. Luca,et al. A comparison of the structure, flexibility and mesogenic properties of 4-methoxy-4′-cyanobiphenyl and the α,α,α-trifluorinated derivative , 1994 .
[72] P. B. Warren,et al. Phase Behaviour of Hard-Sphere Mixtures , 1994 .
[73] C. Vega,et al. Isotropic‐nematic transition of hard polar and nonpolar molecules , 1994 .
[74] D. Tildesley,et al. Computer modelling of the structure of 4-n-octyl-4'-cyanobiphenyl adsorbed on graphite , 1994 .
[75] D. Kofke,et al. Self-diffusion in the nematic and smectic A phases of an aligned fluid of hard spherocylinders , 1994 .
[76] A. Komolkin,et al. Molecular dynamics simulation of a nematic liquid crystal , 1994 .
[77] T. Hanemann,et al. Crystal structure of 4′-pentyl-4-cyanobiphenyl (5CB) , 1995 .
[78] L. F. Rull. Phase diagram of a liquid crystal model: A computer simulation study , 1995 .
[79] Shuang Tang,et al. Shear viscosity for fluids of hard ellipsoids: A kinetic theory and molecular dynamics study , 1995 .
[80] J. Gourlay,et al. A 256 × 256 SRAM-XOR pixel ferroelectric liquid crystal over silicon spatial light modulator , 1995 .
[81] M. Fayer,et al. Theory of universal fast orientational dynamics in the isotropic phase of liquid crystals , 1995 .
[82] R. Memmer,et al. Computer simulation of chiral liquid crystal phases. IV. Intermolecular chirality transfer to rotamers in a cholesteric phase , 1995 .
[83] J. Stelzer,et al. Elastic Constants of Nematic Liquid Crystals From Molecular Dynamics Simulations , 1995 .
[84] S. Yakovenko,et al. Molecular orientational motion in PCH5: computer simulations and models , 1995 .
[85] Water chemisorption and reconstruction of the MgO surface. , 1995, Physical review. B, Condensed matter.
[86] Monte carlo study of Gay–Berne liquid-crystal droplets , 1995 .
[87] Masafumi Yoshida,et al. Computer Simulation of Liquid Crystalline Molecules Composed of Spherical Interaction Elements , 1995 .
[88] Lee,et al. Pressure-induced polymorphism in CuCl: An ab initio study. , 1995, Physical review. B, Condensed matter.
[89] A. G. Vanakaras,et al. Electric dipoles and phase stability in nematic liquid crystals , 1995 .
[90] What forces bind liquid crystals? , 1995, Physical review letters.
[91] Clark,et al. Dynamic polarized infrared spectroscopy of electric field-induced molecular reorientation in a chiral smectic-A liquid crystal. , 1995, Physical review letters.
[92] C. Zannoni,et al. A generalized Gay-Berne intermolecular potential for biaxial particles , 1995 .
[93] B. Fung,et al. Molecular Dynamics Simulations for Cyanobiphenyl Liquid Crystals , 1995 .
[94] Frenkel,et al. Transverse interlayer order in lyotropic smectic liquid crystals. , 1995, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[96] Viscosities of the Gay-Berne nematic liquid crystal. , 1995, Physical review letters.
[97] H. Vass,et al. High-pressure effects in the layered semiconductor germanium selenide. , 1995, Physical review. B, Condensed matter.
[98] H. Lekkerkerker,et al. Liquid crystal phase transitions in dispersions of rod-like colloidal particles , 1996 .
[99] Ueno,et al. Simple and coupled processes of reorientational relaxation in the isotropic phase of p-n-hexyl p'-cyanobiphenyl. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[100] George Jackson,et al. A RE-EXAMINATION OF THE PHASE DIAGRAM OF HARD SPHEROCYLINDERS , 1996 .
[101] Mark R. Wilson,et al. Determination of order parameters in realistic atom-based models of liquid crystal systems , 1996 .
[102] G. T. Evans. Nematic phase transitions of flexible spherocylindrical molecules , 1996 .
[103] M. Wilson. MOLECULAR MODELLING OF LIQUID CRYSTAL SYSTEMS : AN INTERNAL COORDINATE MONTE CARLO APPROACH , 1996 .
[104] G. Moro,et al. Shape model for ordering properties of molecular dopants inducing chiral mesophases , 1996 .
[105] C. P. Mason,et al. Viscosity of isotropic hard particle fluids , 1996 .
[106] S. Yakovenko,et al. Short-Time Molecular Orientational Dynamics of PCH5 , 1996 .
[107] Quadrupolar interaction in nematic liquid crystals. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[108] Computer simulation of liquid crystals , 1996 .
[109] G. Penna,et al. A rigid core‐flexible chain model for mesogenic molecules in molecular dynamics simulations of liquid crystals , 1996 .
[110] Kroeger,et al. Molecular dynamics of model liquid crystals composed of semiflexible molecules. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[111] M. P. Allen,et al. Effect of the attractive interactions on the phase behavior of the Gay–Berne liquid crystal model , 1996 .
[112] R. Memmer. Computer simulation of chiral liquid crystal phases III. A cholesteric phase formed by chiral Gay-Berne atropisomers , 1996 .
[113] Substrate-induced bulk alignment of liquid crystals. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[114] Y. Shen,et al. Ultrashort orientational dynamics of liquid crystals in the smectic-A phase , 1996 .
[115] S. Kondo,et al. Monte Carlo simulations on mesophase formation using dipolar Gay–Berne model , 1996 .
[116] S. Kondo,et al. Monte Carlo simulations using the dipolar Gay-Berne model: effect of terminal dipole moment on mesophase formation , 1996 .
[117] C. Zannoni,et al. Antiphase structures in polar smectic liquid crystals and their molecular origin , 1996 .
[118] G. Jackson,et al. The liquid-crystalline phase behaviour of hard spherocylinders with terminal point dipoles , 1996 .
[119] Tkachenko. Nematic-Smectic Transition of Semiflexible Chains. , 1996, Physical review letters.
[120] Cleaver,et al. Extension and generalization of the Gay-Berne potential. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[121] B. Bagchi,et al. Single particle and collective orientational relaxation in an anisotropic liquid near the isotropic–nematic transition , 1997 .
[122] S. Žumer,et al. Dynamics of Microconfined Nematic Liquid Crystals and Related NMR Studies , 1997 .
[123] S. Sarman. Molecular dynamics of liquid crystals , 1997 .
[124] Low Frequency Dielectric Relaxation Process in Liquid Crystals with Nematic and Liquid-Like Smectic Phases , 1997 .
[125] A molecular dynamics study of a steric multipole model of liquid crystal molecular geometry , 1997 .
[126] Graeme Ackland,et al. Properties of liquid crystal molecules from first principles computer simulation , 1997 .
[127] THE ISOTROPIC-NEMATIC TRANSITION OF DIPOLAR SPHEROCYLINDERS : COMBINING THERMODYNAMIC PERTURBATION WITH MONTE CARLO SIMULATION , 1997 .
[128] G. Jackson,et al. Chain and ring structures in smectic phases of molecules with transverse dipoles , 1997 .
[129] M. P. Allen,et al. Phase-Diagram of the Hard Biaxial Ellipsoid Fluid , 1997 .
[130] D. Williamson,et al. The isotropic-nematic phase transition in a fluid of dipolar hard spherocylinders , 1997 .
[131] G. Jackson,et al. The liquid crystalline phase behavior of dimerizing hard spherocylinders , 1997 .
[132] M. P. Allen,et al. Free energy barriers for interlayer diffusion in the smectic-A phase of hard spherocylinders , 1997 .
[133] J. Crain,et al. Low-frequency dynamics of liquid crystals , 1997 .
[134] Y. Ozaki,et al. Dynamics of electric-field-induced molecular reorientation and segmental mobility in the smectic-C * phase of a ferroelectric liquid crystal: Faster reorientation of cores than the alkyl chains revealed by time-resolved infrared spectroscopy , 1997 .
[135] Mark R. Wilson,et al. Molecular dynamics simulations of flexible liquid crystal molecules using a Gay-Berne/Lennard-Jones model , 1997 .
[136] B. Bagchi,et al. Translational and rotational motion in molecular liquids: A computer simulation study of Lennard–Jones ellipsoids , 1997 .
[137] G. R. Luckhurst,et al. Computer simulation studies of anisotropic systems. XXVII. The direct pair correlation function of the Gay–Berne discotic nematic and estimates of its elastic constants , 1997 .
[138] Nematic Bendsplay Elastisity of Cyanophenyl Compozmds with Different Terminal Groups , 1997 .
[139] Fast Stochastic Reorientations in Nematic PAA and PAP , 1997 .
[140] Peter G. Bolhuis,et al. Tracing the phase boundaries of hard spherocylinders , 1997 .
[141] G. R. Luckhurst,et al. Computer simulation studies of anisotropic systems. The density and temperature dependence of the second rank orientational order parameter for the nematic phase of a Gay Berne liquid crystal , 1997 .
[142] Henning Menzel,et al. Role of interfacial entropy in the command-surface effect , 1997 .
[143] H. Coles,et al. BI-MESOGENIC ORGANOSILOXANE LIQUID CRYSTAL MATERIALS EXHIBITING ANTIFERROELECTRIC PHASES , 1997 .
[144] Homeotropic surface anchoring of a Gay-Berne nematic liquid crystal , 1997 .
[145] G. Jackson,et al. Reaction-field and Ewald summation methods in Monte Carlo simulations of dipolar liquid crystals , 1997 .
[146] C. Zannoni,et al. A molecular dynamics simulation study of the nematic–isotropic interface of a Gay–Berne liquid crystal , 1997 .
[147] C. M. Care,et al. A molecular dynamics study of a bi-disperse liquid crystal mixture using a generalized Gay-Berne potential , 1997 .
[148] Simon J. Cox,et al. INFLUENCE OF PERMANENT MOLECULAR DIPOLES ON SURFACE ANCHORING OF NEMATIC LIQUID CRYSTALS , 1997 .
[149] M. P. Allen,et al. Computer simulation study of a flexible-rigid-flexible model for liquid crystals , 1997 .
[150] S. Hanna,et al. Computer Simulation of Surface Alignment in Ferroelectric Liquid Crystal Devices , 1997 .
[151] Liquid crystal phases of dipolar discotic particles , 1997 .
[152] K. Pasterny,et al. Molecular dynamics simulation study of a liquid crystal model: Gay-Berne particles with transverse dipole moments , 1997 .
[153] Phase diagrams of aligned dipolar hard rods , 1998 .
[154] C. Zannoni,et al. ABRUPT ORIENTATIONAL CHANGES FOR LIQUID CRYSTALS ADSORBED ON A GRAPHITE SURFACE , 1998 .
[155] G. R. Luckhurst,et al. Computer simulation studies of anisotropic systems XXIX. Quadrupolar Gay-Berne discs and chemically induced liquid crystal phases , 1998 .