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    1. Xu, GQ; Mattice, WL
      Study on structure formation of short polyethylene chains via dynamic Monte Carlo simulation

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    2. von Lockette, PR; Arruda, EM
      Computational annealing of simulated unimodal and bimodal networks

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    3. Ramos, JI
      Drawing of annular liquid jets at low Reynolds numbers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    4. Nakazawa, H; Fujinami, S; Motoyama, M; Ohta, T; Araki, T; Tanaka, H; Fujisawa, T; Nakada, H; Hayashi, M; Aizawa, M
      Phase separation and gelation of polymer-dispersed liquid crystals

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    5. Michalke, W; Kreitmeier, S; Lang, M; Buchner, A; Goritz, D
      Monte Carlo simulations of the spatial structure of end-linked bimodal polymer networks: part II

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    6. Allington, RD; Attwood, D; Hamerton, I; Hay, JN; Howlin, BJ
      New force-field parameters for use in molecular simulations of s-triazine and cyanurate-containing systems. 1 - derivation and molecular structure synopsis

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    7. Sen, M; Guven, O
      Prediction of the swelling behaviour of amphiphilic hydrogels and the determination of average molecular weight between cross-links

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    8. Ding, J; Carver, TJ; Windle, AH
      Self-assembled structures of block copolymers in selective solvents reproduced by lattice Monte Carlo simulation

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    9. Farmer, B; Pachter, R; Patnaik, S; Rigby, D; Tashiro, K
      Special issue - Multiscale modeling of organic materials

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    10. Goddard, WA; Cagin, T; Blanco, M; Vaidehi, N; Dasgupta, S; Floriano, W; Belmares, M; Kua, J; Zamanakos, G; Kashihara, S; Iotov, M; Gao, GH
      Strategies for multiscale modeling and simulation of organic materials: polymers and biopolymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    11. Cagin, T; Wang, GF; Martin, R; Zamanakos, G; Vaidehi, N; Mainz, DT; Goddard, WA
      Multiscale modeling and simulation methods with applications to dendritic polymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    12. Tashiro, K
      Molecular dynamics calculation to clarify the relationship between structure and mechanical properties of polymer crystals: the case of orthorhombic polyethylene

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    13. Wang, ZQ; Lupo, JA; Patnaik, S; Pachter, R
      Large scale molecular dynamics simulations of a 4-n-pentyl-4 '-cyanobiphenyl (5CB) liquid crystalline model in the bulk and as a droplet

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    14. Denniston, C; Orlandini, E; Yeomans, JM
      Simulations of liquid crystals in Poiseuille flow

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    15. Katti, DR; Katti, KS; Sopp, JM; Sarikaya, M
      3D finite element modeling of mechanical response in nacre-based hybrid nanocomposites

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    16. Sharaf, MA; Kloczkowski, A; Mark, JE
      Monte Carlo simulations on reinforcement of an elastomer by oriented prolate particles

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    17. Gestoso, P; Brisson, J
      Effect of hydrogen bonds on the amorphous phase of a polymer as determinedby atomistic molecular modelling

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    18. Fried, JR; Li, B
      Atomistic simulation of the glass transition of di-substituted polysilanes

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    19. Jenkins, MJ; Hay, JN
      Simulation of the glass transition and physical ageing

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    20. Tilbrook, DA; Howlin, BJ; Hamerton, I
      Assessment of two methods for application in the prediction of the infrared spectra of polymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    21. Pavel, D; Ball, J; Bhattacharya, S; Shanks, R; Hurduc, N; Catanescu, O
      Molecular simulation and experimental characterisation of monotropic and enantiotropic polymers containing azobenzene and diphenyl mesogens

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    22. Whiteley, KS; Garriga, A
      Derivation of continuous molecular weight distributions from the generating function

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    23. Nose, T; Numasawa, N
      A theory of swollen hollow micelles of diblock copolymers in selective solvents

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    24. Nyden, MR; Vanderhart, DL; Alamo, RG
      The conformational structures of defect-containing chains in the crystalline regions of isotactic polypropylene

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    25. Fukui, K; Sumpter, BG; Noid, DW; Yang, C; Tuzun, RE
      Analysis of eigenvalues and eigenvectors of polymer particles: random normal modes

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    26. Koren, I; Tino, J
      Monte Carlo simulation of density dependence of molecular motion and radical decay in solid polymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    27. Oh, J; Rey, AD
      Computational simulation of polymerization-induced phase separation under a temperature gradient

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    28. Lee, S; Jeong, HY; Lee, H
      Conformational properties of the bisphenol-A polycarbonate using the RMMC method

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    29. Haire, KR; Windle, AH
      Monte Carlo simulation of polymer welding

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    30. Rabias, I; Howlin, BJ
      A combined ab initio and semi-empirical study on the theoretical vibrational spectra and physical properties of polypyrrole

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    31. Sein, LT; Wei, Y; Jansen, SA
      The role of adsorption of aniline trimers on the corrosion inhibition process: a ZINDO/1 study

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    32. Corzo, JA; Davidenko, N; Alvarez, R
      Photoinitiated bulk polymerization of furfuryl methacrylate. Stochastic simulation results using the new model CORUB

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    33. Posada, F; Malfreyt, P; Gardette, JL
      Hydrogen abstraction from poly(propylene) and poly(propylene oxide) by hydroxyl radicals: a computational quantum semi-empirical study

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    34. Posada, F; Malfreyt, P; Gardette, JL
      Hydrogen abstraction from copolymers of fluorinated olefins and allyl or vinyl ethers by hydroxyl radicals: a computational quantum semi-empirical study

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    35. Sarmoria, C; Miller, DR
      Spanning-tree models for A(f) homopolymerizations with intramolecular reactions

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    36. Romiszowski, P; Sikorski, A
      The dimensions of a polymer chain at the coil-to-globule transition

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    37. Li, TL; Park, KN
      A Monte Carlo simulation of grafted poly(ethylene oxide) chains

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    38. Chirikjian, GS
      Conformational statistics of macromolecules using generalized convolution

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    39. Doruker, P; Wang, Y; Mattice, WL
      Simulation of the random scission of C-C bonds in the initial stage of thethermal degradation of polyethylene

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    40. Rivero, P; Etchechury, E
      Modelling the molecular weight distribution in terpolymerization systems with donor-acceptor complexes

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    41. Davis, WM; Szabo, JP
      Group contribution analysis applied to the Havriliak-Negami model for polyurethanes

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    42. Haire, KR; Carver, TJ; Windle, AH
      A Monte Carlo lattice model for chain diffusion in dense polymer systems and its interlocking with molecular dynamics simulation

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    43. Abu-Sharkh, BF
      Glass transition temperature of poly(vinylchloride) from molecular dynamics simulation: explicit atom model versus rigid CH2 and CHCl groups model

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    44. Mazur, AK; Sumpter, BG; Noid, DW
      Internal coordinate phase space analysis of macromolecular systems

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    45. Nick, B; Suter, UW
      Solubility of water in polymers - atomistic simulations

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    46. Genovese, A; Shanks, RA
      Simulation of the specific interactions between polyamide-6 and a thermoplastic polyurethane

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    47. Achilleos, EC; Christodoulou, KN; Kevrekidis, IG
      A transport model for swelling of polyelectrolyte gels in simple and complex geometries

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    48. Poznansky, OP
      Bush region in the propagation of electrical degradation in polymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    49. Swenson, J; Carlsson, P; Borjesson, L; Torell, LM; McGreevy, RL; Howells, WS
      The application of reverse Monte Carlo modelling to a polymeric melt

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    50. Robles, J; Martinez-Richa, A; Villanueva, M
      Ab initio study of the reactivity and plausible polymerization process of a labdatriene monomer

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    51. Slapak, MJP; van Kasteren, JMN; Drinkenburg, AAH
      Determination of the pyrolytic degradation kinetics of virgin-PVC and PVC-waste by analytical and computational methods

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    52. Koren, I; Tino, J; Urban, J
      Monte-Carlo simulation of free-radical decay as a probe of local and collective dynamics in polymer molecules

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    53. Kontogeorgis, GM; Yakoumis, IV; Vlamos, PM
      Application of the sCPA equation of state for polymer solutions

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    54. Dayantis, J
      Chain statistics and heat of reaction in random copolymerization

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    55. Pardo, E; Tomba, JP; Carella, JM
      A generalized method to calculate diffusion rates in polydisperse systems.Application to miscible polymer pairs in the concentrated regime

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    56. Ainaoui, A; Vergnaud, JM
      Effect of the nature of the polymer and of the process of drug release (diffusion or erosion) for oral dosage forms

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    57. Ouriemchi, EM; Vergnaud, JM
      Processes of drug transfer with three different polymeric systems with transdermal drug delivery

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    58. Ennari, J; Neelov, I; Sundholm, F
      Molecular dynamics simulation of the PEO sulfonic acid anion in water

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    59. Ozisik, R; Doruker, P; Mattice, WL; von Meerwall, ED
      Translational diffusion in Monte Carlo simulations of polymer melts: center of mass displacement vs. integrated velocity autocorrelation function

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    60. Hofmann, D; Fritz, L; Ulbrich, J; Paul, D
      Molecular simulation of small molecule diffusion and solution in dense amorphous polysiloxanes and polyimides

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    61. Banerjee, T; Lipscomb, GG
      A comparison of analytic thermodynamic models for gas solubility, volume dilation and heat of sorption in glassy polymeric materials

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    62. Fried, JR; Ren, P
      The atomistic simulation of the gas permeability of poly(organophosphazenes). Part 1. Poly(dibutoxyphosphazenes)

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    63. Nose, T; Iyama, K
      Micellization and relaxation kinetics of diblock copolymers in dilute solution based on A-W theory: I. Description of a model for core-corona type micelles

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    64. Tanaka, F; Koga, T
      Intramolecular and intermolecular association in thermoreversible gelationof hydrophobically modified associating polymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    65. Ohno, K; Kawazoe, Y
      A modified CCA model describing gelation processes

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    66. Monzen, M; Kawakatsu, T; Doi, M; Hasegawa, R
      Micelle formation in triblock copolymer solutions

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    67. Shida, K; Ohno, K; Kimura, M; Kawazoe, Y
      Monte Carlo analysis of the osmotic pressure of athermal polymer solutionsin dilute and semi-dilute regimes

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    68. Motoyama, M; Nakazawa, H; Ohta, T; Fujisawa, T; Nakada, H; Hayashi, M; Aizawa, M
      Phase separation of liquid crystal-polymer mixtures

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    69. Tanaka, M; Iwata, K; Kuzuu, N
      High-precision computer simulations of entangled polymer chains: 1. Determination of entanglement parameters of bond-fluctuation model

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    70. Tanaka, M; Kuzuu, N; Imai, S; Iwata, K
      Correspondence relation with respect to entanglement among different simulation models: comparison between bead-spring and bond fluctuation model

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    71. Aoyagi, T; Doi, M
      Molecular dynamics simulation of entangled polymers in shear flow

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    72. Abe, Y; Tashiro, K; Kobayashi, M
      Computer simulation of structural changes in the ferroelectric phase transition of vinylidene fluoride-trifluoroethylene copolymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    73. Koda, T; Shibasaki, K; Ikeda, S
      Monte Carlo simulation of polarization reversal of ferroelectric polymer polyvinylidene fluoride

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    74. Hirose, M; Yamamoto, T; Naiki, M
      Crystal structures of the alpha and beta forms of isotactic polypropylene:a Monte Carlo simulation

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    75. Tosaka, M; Hamada, N; Yamakawa, M; Tsuji, M; Kohjiya, S
      Molecular packing in the new unit cell of poly(p-hydroxybenzoic acid) whisker crystal

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    76. Horinaka, J; Ito, S; Yamamoto, M; Matsuda, T
      Molecular dynamics simulation of local motion of polystyrene chain end - comparison with the fluorescence depolarization study

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    77. Okada, O; Oka, K; Kuwajima, S; Toyoda, S; Tanabe, K
      Molecular simulation of an amorphous poly(methyl methacrylate)-poly(tetrafluoroethylene) interface

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    78. Mavrantzas, VG; Theodorou, DN
      Atomistic simulation of the birefringence of uniaxially stretched polyethylene melts

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    79. Madkour, TM; Mohammed, OI; Ebaid, AH
      New approach for the generation of initial configurations suitable for molecular dynamics studies of glassy polymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    80. Elshakre, M; Atallah, AS; Santos, S; Grigoras, S
      A structural study of carbosilane dendrimers versus polyamidoamine

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    81. Uhlherr, A
      A multiple chain Monte Carlo method for atomistic simulation of high molecular weight polymer melts

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    82. Zhou, J; Nicholson, TM; Davies, GR; Ward, IM
      Towards first-principles modelling of the mechanical properties of oriented poly(ethylene terephthalate)

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    83. Heinrich, G; Kluppel, M; Vilgis, TA
      Evaluation of self-affine surfaces and their implication for frictional dynamics as illustrated with a Rouse material

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    84. Jarecki, L; Ziabicki, A; Blim, A
      Dynamics of hot-tube spinning from crystallizing polymer melts

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    85. Aerts, J
      Prediction of intrinsic viscosities of mixed hyperbranched-linear polymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    86. Eichinger, BE
      Cyclization in reversible and irreversible step-growth polymerizations

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    87. Rubio, AM; Freire, JJ
      Interaction between two star polymers in a good solvent

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    88. Lin, JH; Baumgaertner, A
      Molecular dynamics simulations of hydrophobic and amphiphatic proteins interacting with a lipid bilayer membrane

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    89. Balijepalli, S; Rutledge, GC
      Conformational statistics of polymer chains in the interphase of semi-crystalline polymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    90. Yethiraj, A
      Integral equation theory for the surface segregation from blends of linearand star polymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    91. Jonsdottir, SO; Welsh, WJ
      Modeling of the phase equilibria of polyisobutylene in diisobutylketone with molecular mechanics

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    92. Burchard, W; Vogel, HJ
      Particle scattering form factors of chemical and conformational triblock copolymers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    93. Raos, G; Allegra, G; Assecondi, L; Croci, C
      Rigid filler particles in a rubber matrix: effective force constants by multipolar expansion

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    94. Birshtein, TM; Amoskov, VM
      Homeotropic and planar structures in liquid-crystalline polymer brushes

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    95. Baulin, VA; Kramarenko, EY; Khokhlov, AR
      Polymer-surfactant complexes: solubilization of polymeric globule by surfactants

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    96. Leon, S; Aleman, C; Munoz-Guerra, S; Laso, M
      Monte Carlo structural investigation of helical poly(beta-L-aspartate)s containing linear alkyl side chains

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    97. Patil, RD; Mark, JE
      Evaluations of forcefields for aromatic polysiloxanes, and some applications to poly(diphenylsiloxane)

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    98. Pakula, T; Harre, K
      On the dynamics of stiff polymers in a melt

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    99. Oberdisse, J; Rharbi, Y; Boue, F
      Simulation of aggregate structure and SANS-spectra in filled elastomers

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    100. Sundararajan, PR; Sacripante, G; Wang, ZY
      The possibility of intra-molecular nematic order via chain folding in perylene-containing polyimides: a molecular dynamics study

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 31/10/20 alle ore 22:54:18