Catalogo Articoli (Spogli Riviste)

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La ricerca find articoli where soggetti phrase all words 'CHAIN MOLECULES' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 436 riferimenti
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    1. Martins, LFG; Filipe, EJM; Calado, JCG
      Liquid mixtures involving cyclic molecules. 2: Xenon plus cyclobutane

      JOURNAL OF PHYSICAL CHEMISTRY B
    2. Adidharma, H; Radosz, M
      SAFT1 for associating fluids: Alkanols

      JOURNAL OF PHYSICAL CHEMISTRY B
    3. Melendez-Pagan, Y; Taylor, BE; Ben-Amotz, D
      Cavity formation and dipolar contribution to the gauche-trans isomerization of 1-chloropropane and 1,2-dichloroethane

      JOURNAL OF PHYSICAL CHEMISTRY B
    4. de Souza, LES; Canuto, S
      Efficient estimation of second virial coefficients of fused hard-sphere molecules by an artificial neural network

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    5. McCabe, C; Dias, LMB; Jackson, G; Filipe, EJM
      On the liquid mixtures of xenon, alkanes and perfluorinated compounds

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    6. De Coninck, J; de Ruijter, MJ; Voue, M
      Dynamics of wetting

      CURRENT OPINION IN COLLOID & INTERFACE SCIENCE
    7. Voue, M; De Coninck, J
      Spreading on heterogeneous substrates

      OIL & GAS SCIENCE AND TECHNOLOGY-REVUE DE L INSTITUT FRANCAIS DU PETROLE
    8. Sloutskin, E; Sirota, EB; Kraack, H; Ocko, BM; Deutsch, M
      Surface freezing in n-alkane solutions: The relation to bulk phases - art.no. 031708

      PHYSICAL REVIEW E
    9. Lahtinen, JM; Hjelt, T; Ala-Nissila, T; Chvoj, Z
      Diffusion of hard disks and rodlike molecules on surfaces - art. no. 021204

      PHYSICAL REVIEW E
    10. Zhou, SQ; Zhang, XQ
      Microscopic approach for the site distribution and thermodynamic properties of a single-component polymer subjected to an external field - art. no. 011112

      PHYSICAL REVIEW E
    11. McBride, C; Vega, C; MacDowell, LG
      Isotropic-nematic phase transition: Influence of intramolecular flexibility using a fused hard sphere model - art. no. 011703

      PHYSICAL REVIEW E
    12. Opps, SB; Yang, B; Gray, CG; Sullivan, DE
      Monte Carlo studies of model Langmuir monolayers - art. no. 041602

      PHYSICAL REVIEW E
    13. Ma, XD; Tang, H; Gui, J
      Temperature effect on spreading of perfluoropolyethers on amorphous carbonfilms

      TRIBOLOGY LETTERS
    14. Yang, XZ
      Conformational elasticity theory of chain molecules

      SCIENCE IN CHINA SERIES B-CHEMISTRY
    15. Schmid, F; Stadler, C; Duchs, D
      Computer simulations of self-assembled monolayers

      JOURNAL OF PHYSICS-CONDENSED MATTER
    16. Muller, EA; Gubbins, KE
      Molecular-based equations of state for associating fluids: A review of SAFT and related approaches

      INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
    17. Williams, AJ; Gupta, VK
      Incorporation of a photochromic hinge in a rodlike polypeptide and its influence on dielectric and optical properties

      JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
    18. Shevade, AV; Zhou, J; Zin, MT; Jiang, SY
      Phase behavior of mixed self-assembled monolayers of alkanethiols on Au(111): A configurational-bias Monte Carlo simulation study

      LANGMUIR
    19. Nezbeda, I
      On molecular-based equations of state: rigor versus speculations

      FLUID PHASE EQUILIBRIA
    20. Yelash, LV; Kraska, T
      Mapping of theoretical equations of state for molecular fluids on a biquadratic equation

      FLUID PHASE EQUILIBRIA
    21. Yu, YX; Gao, CH
      Study on self-diffusion in water, alcohols and hydrogen fluoride by the statistical associating fluid theory

      FLUID PHASE EQUILIBRIA
    22. Guthe, F; Ding, HB; Pino, T; Maier, JP
      Diagnosis of a benzene discharge with a mass-selective spectroscopic technique

      CHEMICAL PHYSICS
    23. Maeda, N; Yaminsky, VV
      Experimental observations of surface freezing

      INTERNATIONAL JOURNAL OF MODERN PHYSICS B
    24. Wick, CD; Martin, MG; Siepmann, JI; Schure, MR
      Simulating retention in gas-liquid chromatography: Benzene, toluene, and xylene solutes

      INTERNATIONAL JOURNAL OF THERMOPHYSICS
    25. Penfold, J
      The structure of the surface of pure liquids

      REPORTS ON PROGRESS IN PHYSICS
    26. Kraack, H; Sirota, EB; Deutsch, M
      Homogeneous crystal nucleation in short polyethylenes

      POLYMER
    27. Gil-Villegas, A; Galindo, A; Jackson, G
      A statistical associating fluid theory for electrolyte solutions (SAFT-VRE)

      MOLECULAR PHYSICS
    28. Segura, CJ; Zhang, J; Chapman, WG
      Binary associating fluid mixtures against a hard wall: density functional theory and simulation

      MOLECULAR PHYSICS
    29. Uhlherr, A; Mavrantzas, VG; Doxastakis, M; Theodorou, DN
      Directed bridging methods for fast atomistic Monte Carlo simulations of bulk polymers

      MACROMOLECULES
    30. Alcaide, B; Almendros, P; Aragoncillo, C
      Straightforward asymmetric entry to highly functionalized medium-sized rings fused to beta-lactams via chemo- and stereocontrolled divergent radical cyclization of Baylis-Hillman adducts derived from 4-oxoazetidine-2-carbaldehydes

      JOURNAL OF ORGANIC CHEMISTRY
    31. Vega, C; McBride, C; MacDowell, LG
      Liquid crystal phase formation for the linear tangent hard sphere model from Monte Carlo simulations

      JOURNAL OF CHEMICAL PHYSICS
    32. Zervopoulou, E; Mavrantzas, VG; Theodorou, DN
      A new Monte Carlo simulation approach for the prediction of sorption equilibria of oligomers in polymer melts: Solubility of long alkanes in linear polyethylene

      JOURNAL OF CHEMICAL PHYSICS
    33. Hotston, SD; Adolf, DB; Karatasos, K
      An investigation into the local segmental dynamics of polyethylene: An isothermal/isobaric molecular dynamics study

      JOURNAL OF CHEMICAL PHYSICS
    34. Ben-Amotz, D; Omelyan, IP
      The influence of molecular shape on chemical reaction thermodynamics

      JOURNAL OF CHEMICAL PHYSICS
    35. Vlugt, TJH; Dunweg, B
      Computing phase equilibria by parallel excluded volume tempering

      JOURNAL OF CHEMICAL PHYSICS
    36. Tomassone, MS; Couzis, A; Maldarelli, CM; Banavar, JR; Koplik, J
      Molecular dynamics simulation of gaseous-liquid phase transitions of soluble and insoluble surfactants at a fluid interface

      JOURNAL OF CHEMICAL PHYSICS
    37. Aranovich, GL; Donohue, MD
      A simple lattice model for phase transitions in block copolymers

      JOURNAL OF CHEMICAL PHYSICS
    38. Nath, SK; Banaszak, BJ; de Pablo, JJ
      A new united atom force field for alpha-olefins

      JOURNAL OF CHEMICAL PHYSICS
    39. Peery, TB; Evans, GT
      Interface profiles in a dimerizing system

      JOURNAL OF CHEMICAL PHYSICS
    40. Biswas, P; Kant, R; Blumen, A
      Stretch dynamics of flexible dendritic polymers in solution

      JOURNAL OF CHEMICAL PHYSICS
    41. Vega, C; MacDowell, LG
      Extending Wertheim's perturbation theory to the solid phase: The freezing of the pearl-necklace model

      JOURNAL OF CHEMICAL PHYSICS
    42. Wijmans, CM; Smit, B; Groot, RD
      Phase behavior of monomeric mixtures and polymer solutions with soft interaction potentials

      JOURNAL OF CHEMICAL PHYSICS
    43. Nikunen, P; Vattulainen, I; Ala-Nissila, T
      Density profile evolution and nonequilibrium effects in partial and full spreading measurements of surface diffusion

      JOURNAL OF CHEMICAL PHYSICS
    44. Lindberg, E; Elvingson, C
      Monte Carlo simulation of polymer brushes attached to a spherical surface

      JOURNAL OF CHEMICAL PHYSICS
    45. Li, HZ; Yamamoto, T
      The surface-ordered phase of n-nonadecane: A molecular dynamics simulation

      JOURNAL OF CHEMICAL PHYSICS
    46. Graf, S; Geiss, J; Leutwyler, S
      Ab initio calculations of excited states in C4H and implications for ultraviolet photodissociation

      JOURNAL OF CHEMICAL PHYSICS
    47. Janezic, D; Praprotnik, M
      Symplectic molecular dynamics integration using normal mode analysis

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    48. Dickens, JE; Langer, WD; Velusamy, T
      Small-scale abundance variations in TMC-1: Dynamics and hydrocarbon chemistry

      ASTROPHYSICAL JOURNAL
    49. Cervero, M; Mendicuti, F
      Inclusion complexes of dimethyl 2,6-naphthalenedicarboxylate with alpha- and beta-cyclodextrins in aqueous medium: Thermodynamics and molecular mechanics studies

      JOURNAL OF PHYSICAL CHEMISTRY B
    50. Filipe, EJM; de Azevedo, EJSG; Martins, LFG; Soares, VAM; Calado, JCG; McCabe, C; Jackson, G
      Thermodynamics of liquid mixtures of xenon with alkanes: (xenon plus ethane) and (xenon plus propane)

      JOURNAL OF PHYSICAL CHEMISTRY B
    51. Filipe, EJM; Martins, LFG; Calado, JCG; McCabe, C; Jackson, G
      Thermodynamics of liquid mixtures of xenon with Alkanes: (xenon plus n-butane) and (xenon plus isobutane)

      JOURNAL OF PHYSICAL CHEMISTRY B
    52. Wick, CD; Martin, MG; Siepmann, JI
      Transferable potentials for phase equilibria. 4. United-atom description of linear and branched alkenes and alkylbenzenes

      JOURNAL OF PHYSICAL CHEMISTRY B
    53. Tikhonov, AM; Mitrinovic, DM; Li, M; Huang, ZQ; Schlossman, ML
      An X-ray reflectivity study of the water-docosane interface

      JOURNAL OF PHYSICAL CHEMISTRY B
    54. Martin, MG; Chen, B; Siepmann, JI
      Molecular structure and phase diagram of the binary mixture of n-heptane and supercritical ethane: A Gibbs ensemble Monte Carlo study

      JOURNAL OF PHYSICAL CHEMISTRY B
    55. Kuhn, H; Rehage, H
      Molecular orientation of monododecyl pentaethylene glycol (C12E5) surfactants at infinite dilution at the air/water interface. A molecular dynamics computer simulation study

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    56. Pena-Gallego, A; Martinez-Nunez, E; Vazquez, SA
      Dynamics of the cis-trans isomerization and Cl-O dissociation of chlorine nitrite. Classical trajectory and statistical calculations

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    57. Yelash, LV; Kraska, T
      A mapping equation of state: development for the dipolar hard sphere fluid

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    58. Voue, M; De Coninck, J
      Spreading and wetting at the microscopic scale: Recent developments and perspectives

      ACTA MATERIALIA
    59. Peppe, S; Blanksby, SJ; Dua, S; Bowie, JH
      Formation of two isomeric C3HO radicals from charged precursors in the gasphase. Potential interstellar molecules

      JOURNAL OF PHYSICAL CHEMISTRY A
    60. 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
    61. 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
    62. Davies, LA; Jackson, G; Rull, LF
      Closed-loop phase equilibria of a symmetrical associating mixture of square-well molecules examined by Gibbs ensemble Monte Carlo simulation

      PHYSICAL REVIEW E
    63. Mukherjee, PK; Deutsch, M
      Effect of long-range farces on surface freezing

      PHYSICAL REVIEW E
    64. Duda, Y; Ochoa, FL; Trokhymchuk, A
      Adsorption of chain molecules into a thin film structure and solvation interaction versus molecular flexibility

      COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
    65. Colussi, AJ; Hoffmann, MR; Tang, Y
      Conformational disorder binds n-alkanes into surface monolayers above the normal freezing point

      LANGMUIR
    66. Jiang, XK; Ji, GZ; Li, ZT
      Aggregation and self-coiling of organic molecules brought about by hydrophobic-lipophilic interactions

      ACTA CHIMICA SINICA
    67. Vega, LF; Blas, FJ
      Tricritical phenomena in chain-like mixtures from a molecular-based equation of state

      FLUID PHASE EQUILIBRIA
    68. Jiang, JW; Prausnitz, JM
      Critical temperatures and pressures for hydrocarbon mixtures from an equation of state with renormalization-group theory corrections

      FLUID PHASE EQUILIBRIA
    69. Kuhn, H; Rehage, H
      Molecular orientation of monododecyl pentaethylene glycol at water/air andwater/oil interfaces. A molecular dynamics computer simulation study

      COLLOID AND POLYMER SCIENCE
    70. Sedev, R; Exerowa, D; Findenegg, GH
      Poly(ethylene oxide)-poly(propylene oxide) - poly(ethylene)oxide triblock copolymers at the water/air interface and in foam films

      COLLOID AND POLYMER SCIENCE
    71. Fuji, M; Ueno, S; Takei, T; Watanabe, T; Chikazawa, M
      Surface structural analysis of fine silica powder modified with butyl alcohol

      COLLOID AND POLYMER SCIENCE
    72. Gang, O; Ellmann, J; Moller, M; Kraack, H; Sirota, EB; Ocko, BM; Deutsch, M
      Surface phases of semi-fluorinated alkane melts

      EUROPHYSICS LETTERS
    73. Barth, JV
      Transport of adsorbates at metal surfaces: From thermal migration to hot precursors

      SURFACE SCIENCE REPORTS
    74. Ehrenfreund, P; Charnley, SB
      Organic molecules in the interstellar medium, comets, and meteorites: A voyage from dark clouds to the early earth

      ANNUAL REVIEW OF ASTRONOMY AND ASTROPHYSICS
    75. Lahtinen, JM; Hjelt, T; Ala-Nissila, T
      Diffusive spreading of rodlike molecules on surfaces

      SURFACE SCIENCE
    76. Hjelt, T; Vattulainen, I; Ala-Nissila, T; Ying, SC
      Velocity correlations and memory functions in surface diffusion

      SURFACE SCIENCE
    77. Nikunen, P; Vattulainen, I; Ala-Nissila, T
      Non-equilibrium effects in profile evolution measurements of surface diffusion

      SURFACE SCIENCE
    78. Millar, TJ; Herbst, E; Bettens, RPA
      Large molecules in the envelope surrounding IRC+10216

      MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
    79. Yamamoto, Y; Enami, T; Kuroi, M; Matsuie, N; Ishii, H; Seki, K; Ouchi, Y
      Ultrathin-film differential-thermal-analysis apparatus with simultaneous photoemission measurements

      REVIEW OF SCIENTIFIC INSTRUMENTS
    80. Maeda, N; Yaminsky, VV
      Surface supercooling and stability of n-alkane films

      PHYSICAL REVIEW LETTERS
    81. Malanoski, AP; Vega, C; Monson, PA
      An application of cell theory to molecular models of n-alkane solids

      MOLECULAR PHYSICS
    82. Nath, SK; De Pablo, JJ
      Simulation of vapour-liquid equilibria for branched alkanes

      MOLECULAR PHYSICS
    83. Janecek, J; Boublik, T
      Critical properties of non-spherical molecule fluids from the virial expansion

      MOLECULAR PHYSICS
    84. Muller, M; Binder, K; Schafer, L
      Intra- and interchain correlations in semidilute polymer solutions: Monte Carlo simulations and renormalization group results

      MACROMOLECULES
    85. Fukuhara, K; Hashiwata, K; Takayama, K; Matsuura, H
      Block crystallization effect on the conformation of triblock oligomers alpha-n-alkyl-omega-n-alkoxyoligo(oxyethylene)s in the solid state

      JOURNAL OF MOLECULAR STRUCTURE
    86. Mileva, E; Evans, GT
      Dimerization and solvation equilibria: The direct correlation function

      JOURNAL OF CHEMICAL PHYSICS
    87. Shimizu, T; Yamamoto, T
      Melting and crystallization in thin film of n-alkanes: A molecular dynamics simulation

      JOURNAL OF CHEMICAL PHYSICS
    88. Chen, Z; Escobedo, FA
      A configurational-bias approach for the simulation of inner sections of linear and cyclic molecules

      JOURNAL OF CHEMICAL PHYSICS
    89. Vattulainen, I; Hjelt, T; Ala-Nissila, T; Ying, SC
      Nonexponential decay of velocity correlations in surface diffusion: The role of interactions and ordering

      JOURNAL OF CHEMICAL PHYSICS
    90. Escobedo, FA
      Simulation and extrapolation of coexistence properties with single-phase and two-phase ensembles

      JOURNAL OF CHEMICAL PHYSICS
    91. von Solms, N; Chiew, YC
      Restricted primitive model of dianions and counterions within the mean spherical approximation: Integral equation and thermodynamic perturbation theory

      JOURNAL OF CHEMICAL PHYSICS
    92. Patrickios, CS; Lue, L
      Equation of state for star polymers in good solvents

      JOURNAL OF CHEMICAL PHYSICS
    93. Ben-Amotz, D; Omelyan, IP
      Cavity formation energies for diatomic and spherical solutes in a diatomichard body fluid

      JOURNAL OF CHEMICAL PHYSICS
    94. Opps, SB; Nickel, BG; Gray, CG; Sullivan, DE
      The ground-state phase behavior of model Langmuir monolayers

      JOURNAL OF CHEMICAL PHYSICS
    95. MacDowell, LG; Muller, M; Vega, C; Binder, K
      Equation of state and critical behavior of polymer models: A quantitative comparison between Wertheim's thermodynamic perturbation theory and computer simulations

      JOURNAL OF CHEMICAL PHYSICS
    96. Hooper, JB; Pileggi, MT; McCoy, JD; Curro, JG; Weinhold, JD
      Density functional theory of simple polymers in a slit pore. II. The role of compressibility and field type

      JOURNAL OF CHEMICAL PHYSICS
    97. Patra, CN; Yethiraj, A
      Generalized van der Waals density functional theory for nonuniform polymers

      JOURNAL OF CHEMICAL PHYSICS
    98. Petraco, NDK; Wesolowski, SS; Leininger, ML; Schaefer, HF
      Coupled-cluster studies of the hyperfine splitting constants of the thioformyl radical

      JOURNAL OF CHEMICAL PHYSICS
    99. Fernandez, A; Kostov, KS; Berry, RS
      Coarsely resolved topography along protein folding pathways

      JOURNAL OF CHEMICAL PHYSICS
    100. Fukuda, M
      Solubilities of small molecules in polyethylene evaluated by a test-particle-insertion method

      JOURNAL OF CHEMICAL PHYSICS


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Documento generato il 13/08/20 alle ore 11:12:41