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La ricerca find articoli where soggetti phrase all words 'COMPUTER-SIMULATIONS' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 1532 riferimenti
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    1. Sommer, JU
      Kinetic phase diagram for crystallization of bimodal mixtures of oligomersas predicted by computer simulations

      POLYMER
    2. Trakhtengerts, VY; Hobara, Y; Demekhov, AG; Hayakawa, M
      A role of the second-order cyclotron resonance effect in a self-consistentapproach to triggered VLF emissions

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    3. Tueros, M; Castro, EA; Toropov, AA
      Maximum topological distance-based indices as molecular descriptors for QSPR. 3 - Calculation of the hydrophobicity of polyaromatic hydrocarbons

      JOURNAL OF MOLECULAR MODELING
    4. Hing, JP; Woolfrey, SG; Greenslade, D; Wright, PMC
      Is mixed effects modeling or naive pooled data analysis preferred for the interpretation of single sample per subject toxicokinetic data?

      JOURNAL OF PHARMACOKINETICS AND PHARMACODYNAMICS
    5. Kalinichev, AG
      Molecular simulations of liquid and supercritical water: Thermodynamics, structure, and hydrogen bonding

      MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
    6. da Rocha, SRP; Johnston, KP; Westacott, RE; Rossky, PJ
      Molecular structure of the water-supercritical CO2 interface

      JOURNAL OF PHYSICAL CHEMISTRY B
    7. Chen, B; Siepmann, JI; Klein, ML
      Direct Gibbs ensemble Monte Carlo simulations for solid-vapor phase equilibria: Applications to Lennard-Jonesium and carbon dioxide

      JOURNAL OF PHYSICAL CHEMISTRY B
    8. Dang, LX
      A mechanism for ion transport across the water/dichloromethane interface: A molecular dynamics study using polarizable potential models

      JOURNAL OF PHYSICAL CHEMISTRY B
    9. Prevost, M; Ortmans, I
      Interactions of the N-terminal domain of apolipoprotein E with a mimetic water-lipid surface: A molecular dynamics study

      JOURNAL OF PHYSICAL CHEMISTRY B
    10. Nagy, PI; Takacs-Novak, K; Ramek, M
      Theoretical and experimental studies on partitions of gamma-substituted butyric acids in chloroform/water and dichloromethane/water systems

      JOURNAL OF PHYSICAL CHEMISTRY B
    11. Chen, B; Potoff, JJ; Siepmann, JI
      Monte Carlo calculations for alcohols and their mixtures with alkanes. Transferable potentials for phase equilibria. 5. United-atom description of primary, secondary, and tertiary alcohols

      JOURNAL OF PHYSICAL CHEMISTRY B
    12. van Maaren, PJ; van der Spoel, D
      Molecular dynamics simulations of water with novel shell-model potentials

      JOURNAL OF PHYSICAL CHEMISTRY B
    13. Berardi, R; Ricci, M; Zannoni, C
      Ferroelectric nematic and smectic liquid crystals from tapered molecules

      CHEMPHYSCHEM
    14. Brostow, W; Castano, VM; Das-Gupta, D; Hess, M
      POLYCHAR-8 worldwide forum on polymer applications and theory in 2000

      MATERIALS RESEARCH INNOVATIONS
    15. Tafazzoli, M; Jalili, S
      Study of association of 2-methoxyethanol in the aqueous phase

      THEORETICAL CHEMISTRY ACCOUNTS
    16. Wong, KY; Pettitt, BM
      A study of DNA tethered to surface by an all-atom molecular dynamics simulation

      THEORETICAL CHEMISTRY ACCOUNTS
    17. Beyne, AOE; Froment, GF
      The effect of pore blockage on the diffusivity in ZSM5: a percolation approach

      CHEMICAL ENGINEERING JOURNAL
    18. Latkin, EI; Elokhin, VI; Gorodetskii, VV
      Monte Carlo model of oscillatory CO oxidation having regard to the change of catalytic properties due to the adsorbate-induced Pt(100) structural transformation

      JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
    19. Kuanyshev, VT; Belykh, TA; Ogorodnikov, IN; Shulgin, BV; Satybaldieva, MK; Kidibaev, MM
      Fundamental processes of radiation energy storage in KDP (KH2PO4) and ADP (NH4H2PO4) crystals

      RADIATION MEASUREMENTS
    20. Banerjee, D
      Supralinearity and sensitivity changes in optically stimulated luminescence of annealed quartz

      RADIATION MEASUREMENTS
    21. Ugai, M
      Physical mechanism of spontaneous fast reconnection evolution

      EARTH PLANETS AND SPACE
    22. Ojo, SA; Whitmore, L; Slater, B; Catlow, CRA
      Understanding nucleation and growth using computer simulation

      SOLID STATE SCIENCES
    23. Allard, P; Hard, T
      A complete hermitian operator basis set for any spin quantum number

      JOURNAL OF MAGNETIC RESONANCE
    24. Yang, TX; Tsushima, S; Suzuki, A
      Quantum mechanical and molecular dynamical simulations on thorium(IV) hydrates in aqueous solution

      JOURNAL OF PHYSICAL CHEMISTRY A
    25. Kovalenko, SA; Eilers-Konig, N; Senyushkina, TA; Ernsting, NP
      Charge transfer and solvation of betaine-30 in polar solvents - A femtosecond broadband transient absorption study

      JOURNAL OF PHYSICAL CHEMISTRY A
    26. 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
    27. Albrecht, B; Failla, AV; Heintzmann, R; Cremer, C
      Spatially modulated illumination microscopy: online visualization of intensity distribution and prediction of nanometer precision of axial distance measurements by computer simulations

      JOURNAL OF BIOMEDICAL OPTICS
    28. Rippe, B; Rosengren, BI; Venturoli, D
      The peritoneal microcirculation in peritoneal dialysis

      MICROCIRCULATION
    29. Louge, MY; Keast, SC
      On dense granular flows down flat frictional inclines

      PHYSICS OF FLUIDS
    30. Theenhaus, T; Schilling, R; Latz, A; Letz, M
      Microscopic dynamics of molecular liquids and glasses: Role of orientations and translation-rotation coupling - art. no. 051505

      PHYSICAL REVIEW E
    31. Lansac, Y; Glaser, MA; Clark, NA
      Microscopic structure and dynamics of a partial bilayer smectic liquid crystal - art. no. 051703

      PHYSICAL REVIEW E
    32. Bruscolini, P; Casetti, L
      Model for the hydration of nonpolar compounds and polymers - art. no. 051805

      PHYSICAL REVIEW E
    33. Noguchi, H; Takasu, M
      Self-assembly of amphiphiles into vesicles: A Brownian dynamics simulation- art. no. 041913

      PHYSICAL REVIEW E
    34. Zvejnieks, G; Kuzovkov, VN
      Monte Carlo simulations for a Lotka-type model with reactant surface diffusion and interactions - art. no. 051104

      PHYSICAL REVIEW E
    35. Campbell, RA; Mapstone, BD; Smith, ADM
      Evaluating large-scale experimental designs for management of coral trout on the Great Barrier

      ECOLOGICAL APPLICATIONS
    36. Effken, J; Kadar, EE
      Learning as progressive biasing of a random walk process: Toward an ecological theory of exploratory learning

      ECOLOGICAL PSYCHOLOGY
    37. Tian, JP; Yao, KL
      Fractal viscous fingering and its scaling structure in random Sierpinski carpet

      CHINESE PHYSICS
    38. Miao, TD; Mu, QS; Wu, SZ
      Computer simulation of aeolian bedforms

      PROGRESS IN NATURAL SCIENCE
    39. Da Silva, FLB; Jonsson, B; Penfold, R
      A critical investigation of the Tanford-Kirkwood scheme by means of Monte Carlo simulations

      PROTEIN SCIENCE
    40. Tobias, DJ
      Electrostatics calculations: recent methodological advances and applications to membranes

      CURRENT OPINION IN STRUCTURAL BIOLOGY
    41. Cruz-Neto, AP; Garland, T; Abe, AS
      Diet, phylogeny, and basal metabolic rate in phyllostomid bats

      ZOOLOGY-ANALYSIS OF COMPLEX SYSTEMS
    42. Krishtal, S; Kiselev, M; Puhovski, Y; Kerdcharoen, T; Hannongbua, S; Heinzinger, K
      Study of the hydrogen bond network in sub- and supercritical water by molecular dynamics simulations

      ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
    43. Sounart, TL; Baygents, JC
      Electrically-driven fluid motion in channels with streamwise gradients of the electrical conductivity

      COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
    44. Terao, T; Nakayama, T
      Interparticle force between like-charged colloidal systems: a numerical study

      COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
    45. Koudriachova, MV; Beckers, JVL; de Leeuw, SW
      Computer simulation of the quartz surface: a combined ab initio and empirical potential approach

      COMPUTATIONAL MATERIALS SCIENCE
    46. Avci, AK; Onsan, ZI; Trimm, DL
      On-board fuel conversion for hydrogen fuel cells: comparison of different fuels by computer simulations

      APPLIED CATALYSIS A-GENERAL
    47. Rudowicz, C; Sung, HWF
      Can the electron magnetic resonance (EMR) techniques measure the crystal (ligand) field parameters?

      PHYSICA B
    48. Hooper, DM; Mattioli, GS
      Kinematic modeling of pyroclastic flows produced by gravitational dome collapse at Soufriere Hills volcano, Montserrat

      NATURAL HAZARDS
    49. Poznanski, RR
      Conduction velocity of dendritic potentials in a cultured hippocampal neuron model

      NEUROSCIENCE RESEARCH COMMUNICATIONS
    50. Marti, J
      Transition path sampling study of the local molecular structure in the aqueous solvation of sodium chloride

      MOLECULAR SIMULATION
    51. Gordon, PA
      Statistical associating fluid theory. 1. Application toward describing isoparaffins

      INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
    52. Pamies, JC; Vega, LF
      Vapor-liquid equilibria and critical behavior of heavy n-alkanes using transferable parameters from the soft-SAFT equation of state

      INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
    53. Smith, AV; Hall, CK
      alpha-helix formation: Discontinuous molecular dynamics on an intermediate-resolution protein model

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    54. Salaniwal, S; Cui, ST; Cochran, HD; Cummings, PT
      Molecular simulation of a dichain surfactant water carbon dioxide system. 1. Structural properties of aggregates

      LANGMUIR
    55. Ranwez, V; Gascuel, O
      Quartet-based phylogenetic inference: Improvements and limits

      MOLECULAR BIOLOGY AND EVOLUTION
    56. Grinberg, F; Kimmich, R
      Surface effects and dipolar correlations of confined and constrained liquids investigated by NMR relaxation experiments and computer simulations

      MAGNETIC RESONANCE IMAGING
    57. Prylutskyy, YI; Ogloblya, OV; Eklund, PC; Scharff, P
      Electronic properties of carbon nanotubes with defects

      SYNTHETIC METALS
    58. Ohta, Y; Bando, T; Nishi, K; Hayashi, T; Nagao, H; Nishikawa, K
      Control of proton tautomerization using laser field

      SYNTHETIC METALS
    59. Bando, T; Ohta, Y; Nishi, K; Nagao, H; Nishikawa, K
      Intermolecular double proton transfer controlled by laser field

      SYNTHETIC METALS
    60. Masenelli, B; Tutis, E; Bussac, MN; Zuppiroli, L
      Numerical model for simulation of transport and recombination in OLEDs

      SYNTHETIC METALS
    61. Janakiraman, U; Dini, D; Preusser, A; Holmes, AB; Martin, RE; Doblhofer, K
      Electrochemiluminescence of conjugated polymer

      SYNTHETIC METALS
    62. Nam, MS; Ardavan, A; Blundell, SJ; Singleton, J
      Numerical simulation of angle dependent magnetoresistances oscillations inalpha-(BEDT-TTF)(2)KHg(SCN)(4)

      SYNTHETIC METALS
    63. Hayes, W; Nam, MS; Symington, JA; Blundell, SJ; Ardavan, A; Singleton, J
      The mapping of the quasi-two-dimensional Fermi surface sections of organicconductors

      SYNTHETIC METALS
    64. Baranovskii, SD; Cordes, H; Hensel, F; Yamasaki, S
      On the description of charge carrier transport in disordered organic solids

      SYNTHETIC METALS
    65. Yano, J; Kobayashi, M; Yamasaki, S; Harima, Y; Yamashita, K
      Mean redox potentials of polyaniline determined by chronocoulometry

      SYNTHETIC METALS
    66. Cochet, M; Buisson, JP; Wery, J; Jonusauskas, G; Faulques, E; Lefrant, S
      A complete optical study of the conductive form of polyaniline: the emeraldine salt

      SYNTHETIC METALS
    67. Fu, RL; Guo, GY; Zheng, WM; Sun, X
      Dynamical study on the self-trapping excitons in conjugated polymers underelectric fields

      SYNTHETIC METALS
    68. Lamura, A; Gonnella, G
      Lattice Boltzmann simulations of segregating binary fluid mixtures in shear flow

      PHYSICA A
    69. Lisal, M; William, WRS; Nezbeda, I
      Accurate vapour-liquid equilibrium calculations for complex systems using the reaction Gibbs ensemble Monte Carlo simulation method

      FLUID PHASE EQUILIBRIA
    70. Miao, TD; Mu, QS; Wu, SZ
      Computer simulation of aeolian sand ripples and dunes

      PHYSICS LETTERS A
    71. Chung, SH; Kuyucak, S
      Predicting channel function from channel structure using Brownian dynamicssimulations

      CLINICAL AND EXPERIMENTAL PHARMACOLOGY AND PHYSIOLOGY
    72. Hapfelmeier, G; Haseneder, R; Eder, M; Adelsberger, H; Kochs, E; Rammes, G; Zieglgansberger, W
      Isoflurane slows inactivation kinetics of rat recombinant alpha(1)beta(2)gamma(2L) GABA(A) receptors: enhancement of GABAergic transmission despite an open-channel block

      NEUROSCIENCE LETTERS
    73. Kierzek, AM; Zielenkiewicz, P
      Models of protein crystal growth

      BIOPHYSICAL CHEMISTRY
    74. Derbyshire, W; Hedges, ND; Lillford, PJ; Norton, IT
      The influence of a mixed anionic system on the aggregation behaviour of agarose

      FOOD HYDROCOLLOIDS
    75. Maryanski, JL; Attuil, V; Hamrouni, A; Mutin, M; Rossi, M; Aublin, A; Bucher, P
      Individuality of Ag-selected and preimmune TCR repertoires

      IMMUNOLOGIC RESEARCH
    76. Tian, JP; Yao, KL
      Viscous fingering in correlated site-bond square lattice

      CHINESE PHYSICS LETTERS
    77. Tian, JP; Yao, KL
      Deterministic displacement and scaling structure of viscous fingering withdispersion effect in random porous media

      CHINESE PHYSICS LETTERS
    78. Tian, JP; Yao, KL
      Viscous fingering patterns and fractal nature in two-dimensional porous media

      CHINESE PHYSICS LETTERS
    79. Lukkarinen, A; Kaski, K
      Minimum energy configurations of ER-fluids

      INTERNATIONAL JOURNAL OF MODERN PHYSICS B
    80. Kuznetsova, T; Kvamme, B
      Viabilty of atomistic potentials for thermodynamic properties of carbon dioxide at low temperatures

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    81. Friedland, KD; Walker, RV; Davis, ND; Myers, KW; Boehlert, GW; Urawa, S; Ueno, Y
      Open-ocean orientation and return migration routes of chum salmon based ontemperature data from data storage tags

      MARINE ECOLOGY-PROGRESS SERIES
    82. Juan, A; Irigoyen, B; Gesari, S
      Electronic structure and bonding of hydrogen in a screw dislocated bcc Fe

      APPLIED SURFACE SCIENCE
    83. Danailov, DM; Pfandzelter, R; Igel, T; Winter, H; Gartner, K
      Test of the interatomic potential in the eV-region by glancing-angle scattering of He-atoms from Fe(001)

      APPLIED SURFACE SCIENCE
    84. Danailov, D; Pfandzelter, R; Igel, T; Winter, H; Gartner, K
      Deduction of the He-Fe interaction potential in eV-range from experimentaldata by computer simulation in grazing ion-surface scattering: Row-model

      NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
    85. Nuver, TT; Karssen, LC; Rudolph, H; van Emmichoven, PAZ; Niehaus, A
      Preferential ejection of bombardment sputtered and reflected atoms in the keV of Cu(110) with noble gas ions

      NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
    86. Krajcinovic, D; Mastilovic, S
      Brittle and quasi-ductile damage at large strain rates

      THEORETICAL AND APPLIED FRACTURE MECHANICS
    87. Soetens, JC; Millot, C; Maigret, B; Bako, I
      Molecular Dynamics simulation and X-ray diffraction studies of ethylene carbonate, propylene carbonate and dimethyl carbonate in liquid phase

      JOURNAL OF MOLECULAR LIQUIDS
    88. Fisher, EW; Rojnuckarin, A; Kim, S
      Kinetic effects of mutations of charged residues on the surface of a dimeric hemoglobin: insights from Brownian dynamics simulations

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    89. Siu, GG; Lee, CM; Liu, YL
      Magnons and acoustic phonons in Y3-xBixFe5O12 - art. no. 094421

      PHYSICAL REVIEW B
    90. Ferlat, G; San Miguel, A; Jal, JF; Soetens, JC; Bopp, PA; Daniel, I; Guillot, S; Hazeman, JL; Argoud, R
      Hydration of the bromine ion in a supercritical 1 : 1 aqueous electrolyte - art. no. 134202

      PHYSICAL REVIEW B
    91. Colla, TJ; Urbassek, HM; Nordlund, L; Averback, RS
      Ion-induced mixing and demixing in the immiscible Ni-Ag system - art. no. 104206

      PHYSICAL REVIEW B
    92. Barbesta, F; Bousfield, DW; Rigdahl, M
      Modeling of rheological properties of coating colors

      JOURNAL OF RHEOLOGY
    93. Vvedensky, DD
      Epitaxial phenomena across length and time scales

      SURFACE AND INTERFACE ANALYSIS
    94. Jimenez-Munt, I; Bird, P; Fernandez, M
      Thin-shell modeling of neotectonics in the Azores-Gibraltar region

      GEOPHYSICAL RESEARCH LETTERS
    95. Vasut, JA; Hyde, TN
      Computer simulations of Coulomb crystallization in a dusty plasma

      IEEE TRANSACTIONS ON PLASMA SCIENCE
    96. Iyer, AN; Gray, RA
      An experimentalist's approach to accurate localization of phase singularities during reentry

      ANNALS OF BIOMEDICAL ENGINEERING
    97. Miessen, G; Behrendt, F; Deutschmann, O; Warnatz, J
      Numerical studies of the heterogeneous combustion of char using detailed chemistry

      CHEMOSPHERE
    98. Dalton, AS; Llera-Hurlburt, D; Seebauer, EG
      Surface diffusion kinetics on amorphous silicon

      SURFACE SCIENCE
    99. Tagami, K; Tsukada, M
      Tight-binding study of noncontact atomic force microscopy images of Si(001) surfaces

      SURFACE SCIENCE
    100. Kakitani, K; Yoshimori, A; Aizawa, H; Tsukada, M
      Theoretical analyses of phase transition and Debye-Waller factor of Si(111)-Ag root 3x root 3 surface

      SURFACE SCIENCE


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Documento generato il 03/08/20 alle ore 20:01:20