Computer experiments on the internal dynamics of crystalline polyethylene: Mechanistic details of conformational disorder
暂无分享,去创建一个
Bobby G. Sumpter | Donald W. Noid | D. W. Noid | B. Sumpter | Bernhard Wunderiich | Bernhard Wunderiich
[1] S. Rice,et al. Nonlinear resonance and stochasticity in intramolecular energy exchange , 1976 .
[2] J. Colson,et al. Thermal Expansion of Polyethylene Unit Cell: Effect of Lamella Thickness , 1970 .
[3] R. H. Boyd,et al. Molecular motions, the α relaxation, and chain transport in polyethylene crystals , 1978 .
[4] B. Sumpter,et al. Ab initio study of stretch-bend coupling in hydrogen peroxide , 1990 .
[5] J. Troe,et al. The influence of potential energy parameters on the reaction H + CH3 CH4 , 1985 .
[6] H. Johnston. Gas Phase Reaction Rate Theory , 1966 .
[7] D. W. Noid,et al. Molecular dynamics simulation of the condis state of polyethylene , 1990 .
[8] SELECTIVE EXCITATION STUDIES OF UNIMOLECULAR REACTION DYNAMICS , 1984 .
[9] D. Reneker,et al. Erratum: Energetics of defect motion which transports polyethylene molecules along their axis , 1980 .
[10] J. Santamaria,et al. Sensitivity of intramolecular vibrational energy relaxation to stretch–bend potential energy coupling and stability of periodic orbits , 1988 .
[11] P. Wolynes,et al. Transition state and Brownian motion theories of solitons , 1980 .
[12] J. Anchell. Quantum and classical descriptions of position and phase‐space densities of a model Hamiltonian , 1990 .
[13] L. Shampine,et al. Computer solution of ordinary differential equations : the initial value problem , 1975 .
[14] N. Hung. Rotational‐Vibrational Energy Transfer. Dynamics of a Rotating Anharmonic Four‐Atom Molecule , 1972 .
[15] A. Peterlin,et al. Plastic deformation of polyethylene II. Change of mechanical properties during drawing , 1971 .
[16] D. W. Noid,et al. Molecular dynamics results for a polyethylene‐like crystal , 1989 .
[17] D. W. Noid,et al. Stress-induced infrared frequency shifts in polyethylene , 1990 .
[18] B. Wunderlich,et al. Thermotropic mesophases and mesophase transitions of linear, flexible macromolecules , 1984 .
[19] C. Fyfe. Solid state NMR for chemists , 1983 .
[20] Bobby G. Sumpter,et al. Molecular dynamics simulations of polymers: Methods for optimal Fortran programming , 1989 .
[21] Bobby G. Sumpter,et al. Intramolecular and reactive dynamics of OH-overtone excited HOOH (D): A classical trajectory study on a quasiseparable potential surface , 1990 .
[22] B. Wunderlich,et al. A Study of Equilibrium Melting of Polyethylene , 1977 .
[23] Michael J. Davis,et al. Unimolecular reactions and phase space bottlenecks , 1986 .
[24] G. Zerbi,et al. Conformational solitons or twistons in polymethylene chains: lattice dynamics and infra-red spectra , 1988 .
[25] B. Sumpter,et al. Unimolecular reaction dynamics of dimethylnitramine , 1988 .
[26] B. Wunderlich,et al. Heat capacities of linear high polymers , 1970 .
[27] Wolfgang Pechhold,et al. Eine niedermolekulare Modellsubstanz für lineares Polyäthylen. Vorschlag des „Kinkenmodells“ zur Deutung des γ- und α-Relaxationsprozesses , 1963 .
[28] D. W. Noid,et al. Molecular dynamics studies of the lamellar thickening process for polyethylene , 1990 .
[29] Stephen Z. D. Cheng,et al. Computer Simulation of the Melting Process in Linear Macromolecules , 1988 .
[30] W. Hase,et al. Effect of bond stretch excitation on the attenuation of bending forces , 1986 .
[31] Monte Carlo applications in polymer science , 1981 .
[32] J. Troe,et al. Specific rate constants k(E,J) and product state distributions in simple bond fission reactions. II. Application to HOOH→OH+OH , 1987 .
[33] M. V. Volkenstein,et al. The configurational statistics of polymeric chains , 1958 .
[34] Richard H. Boyd,et al. Method for Calculation of the Conformation of Minimum Potential‐Energy and Thermodynamic Functions of Molecules from Empirical Valence‐Force Potentials—Application to the Cyclophanes , 1968 .
[35] Michael L. Klein. COMPUTER SIMULATION STUDIES OF SOLIDS , 1985 .
[36] Rudolph A. Marcus,et al. Semiclassical calculation of bound states in a multidimensional system for nearly 1:1 degenerate systems , 1977 .
[37] A. Lichtenberg,et al. Regular and Stochastic Motion , 1982 .
[38] James D. Meiss,et al. Resonances in area-preserving maps , 1987 .
[39] B. Sumpter,et al. Influence of rotation on the intramolecular dynamics of hydrogen peroxide , 1988 .
[40] R. H. Boyd. Relaxation processes in crystalline polymers: experimental behaviour — a review , 1985 .
[41] O. Ptitsyn,et al. Conformations of Macromolecules , 1966 .
[42] Takashi Yamamoto. An application of Monte Carlo method to simulate disorders in polymer crystals , 1983 .
[43] J. Troe. Relation between potential and rate parameters for reactions on attractive potential energy surfaces. Application to the reaction HO + O .dblharw. HO2* .fwdarw. H + O2 , 1986 .
[44] M. Gutzwiller,et al. Periodic Orbits and Classical Quantization Conditions , 1971 .
[45] B. Wunderlich,et al. Conformations of poly(diethylsiloxane) and its mesophase transitions , 1990 .
[46] G. McClelland,et al. Classical trajectory study of vibration-rotation interaction in highly excited triatomic molecules , 1985 .
[47] James P. Crutchfield,et al. Geometry from a Time Series , 1980 .