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La ricerca find articoli where soggetti phrase all words 'SIMULATIONS' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 13821 riferimenti
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    1. NAKANO Masashi; KAWAMURA Katsuyuki; ICHIKAWA Yasuaki
      Local structural information of Cs in smectite hydrates by means of an EXAFS study and molecular dynamics simulations

      Applied clay science
    2. Inoue, S; Kakuda, Y; Terabe, M
      Backup VP reservation method using multiagents and its experimental evaluation

      ELECTRONICS AND COMMUNICATIONS IN JAPAN PART I-COMMUNICATIONS
    3. Jiang, CZ; Morin, P; Rosenberg, N
      A new type of scanning electron microscope using the coaxial backscatteredelectrons

      MICRON
    4. Hansmann, UHE
      Protein energy landscapes as studied by a generalized-ensemble approach with Tsallis statistics

      CHAOS SOLITONS & FRACTALS
    5. Zecchina, A; Scarano, D; Bordiga, S; Spoto, G; Lamberti, C
      Surface structures of oxides and halides and their relationships to catalytic properties

      ADVANCES IN CATALYSIS, VOL 46
    6. Sommer, JU
      Kinetic phase diagram for crystallization of bimodal mixtures of oligomersas predicted by computer simulations

      POLYMER
    7. Kurt, N; Haliloglu, T
      Distribution of cooperative interactions in barnase at different time windows by coarse-grained simulations

      POLYMER
    8. Doruker, P; Bahar, I; Baysal, C; Erman, B
      Collective deformations in proteins determined by a mode analysis of molecular dynamics trajectories

      POLYMER
    9. Liu, JHY; Brameld, KA; Brant, DA; Goddard, WA
      Conformational analysis of aqueous pullulan oligomers: an effective computational approach

      POLYMER
    10. Pozuelo, J; Mendicuti, F; Saiz, E
      Conformations and mobility of polyethylene and trans-polyacethylene chainsconfined in alpha-cyclodextrins channels

      POLYMER
    11. Tanaka, G; Goettler, LA
      Predicting the binding energy for nylon 6,6/clay nanocomposites by molecular modeling

      POLYMER
    12. Suter, UW; Eichinger, BE
      Estimating elastic constants by averaging over simulated structures

      POLYMER
    13. Gibbs, MT; Rees, PM; Kutzbach, JE; Ziegler, AM; Behling, PJ; Rowley, DB
      Simulations of Permian climate and comparisons with climate-sensitive sediments

      JOURNAL OF GEOLOGY
    14. Maisels, A; Kruis, FE; Fissan, H
      Mixing selectivity in bicomponent, bipolar aggregation

      JOURNAL OF AEROSOL SCIENCE
    15. Drue, C; Heinemann, G
      Turbulence structures over the marginal ice zone under flow parallel to the ice edge: Measurements and parameterizations

      BOUNDARY-LAYER METEOROLOGY
    16. Lai, ST
      A review of critical ionization velocity

      REVIEWS OF GEOPHYSICS
    17. Pielke, RA
      Influence of the spatial distribution of vegetation and soils on the prediction of cumulus convective rainfall

      REVIEWS OF GEOPHYSICS
    18. Staehelin, J; Harris, NRP; Appenzeller, C; Eberhard, J
      Ozone trends: A review

      REVIEWS OF GEOPHYSICS
    19. Verbanck, S; Schuermans, DL; Vincken, W; Paiva, M
      Saline aerosol bolus dispersion. I. The effect of acinar airway alteration

      JOURNAL OF APPLIED PHYSIOLOGY
    20. Oyama, S; Ishii, M; Murayama, Y; Shinagawa, H; Buchert, SC; Fujii, R; Kofman, W
      Generation of atmospheric gravity waves associated with auroral activity in the polar F region

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    21. Smolyakov, AI; Koustov, AV; Makarevitch, RA
      Secondary instabilities in the dynamics of the Farley-Buneman fluctuations

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    22. Schmidt, JM; Cargill, PJ
      Magnetic cloud evolution in a two-speed solar wind

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    23. Thomsen, MF; Birn, J; Borovsky, JE; Morzinski, K; McComas, DJ; Reeves, GD
      Two-satellite observations of substorm injections at geosynchronous orbit

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    24. Neugebauer, M; Goldstein, BE; Winterhalter, D; Smith, EJ; MacDowall, RJ; Gary, SP
      Ion distributions in large magnetic holes in the fast solar wind

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    25. Meziane, K; Mazelle, C; Lin, RP; LeQueau, D; Larson, DE; Parks, GK; Lepping, RP
      Three-dimensional observations of gyrating ion distributions far upstream from the Earth's bow shock and their association with low-frequency waves

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    26. Friedel, RHW; Korth, H; Henderson, MG; Thomsen, MF; Scudder, JD
      Plasma sheet access to the inner magnetosphere

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    27. Hesse, M; Birn, J; Kuznetsova, M
      Collisionless magnetic reconnection: Electron processes and transport modeling

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    28. Birn, J; Hesse, M
      Geospace Environment Modeling (GEM) magnetic reconnection challenge: Resistive tearing, anisotropic pressure and Hall effects

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    29. Ma, ZW; Bhattacharjee, A
      Hall magnetohydrodynamic reconnection: The Geospace Environment Modeling challenge

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    30. Pritchett, PL
      Geospace Environment Modeling magnetic reconnection challenge: Simulationswith a full particle electromagnetic code

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    31. Arzner, K; Scholer, M
      Kinetic structure of the post plasmoid plasma sheet during magnetotail reconnection

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    32. 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
    33. Yoon, PH; Lui, ATY
      On the drift-sausage mode in one-dimensional current sheet

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    34. Hagan, ME; Roble, RG
      Modeling diurnal tidal variability with the National Center for Atmospheric Research thermosphere-ionosphere-mesosphere-electrodynamics general circulation model

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    35. Shapiro, VD; Lee, MA; Quest, KB
      Role of lower hybrid turbulence in surfing acceleration at perpendicular shocks

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    36. Daughton, W; Winske, D; Yin, L; Gary, SP
      Role of electron physics in slow mode shocks

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    37. Paularena, KI; Richardson, JD; Kolpak, MA; Jackson, CR; Siscoe, GL
      A dawn-dusk density asymmetry in Earth's magnetosheath

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    38. Belenkaya, ES
      Currents at the subsolar low shear magnetopause

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    39. Ganguli, SB; Gavrishchaka, VV
      Low-frequency oscillations and transport processes induced by multiscale transverse structures in the polar wind outflow: A three-dimensional simulation

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    40. Green, JC; Kivelson, MG
      A tale of two theories: How the adiabatic response and ULF waves affect relativistic electrons

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    41. Nagai, T; Shinohara, I; Fujimoto, M; Hoshino, M; Saito, Y; Machida, S; Mukai, T
      Geotail observations of the Hall current system: Evidence of magnetic reconnection in the magnetotail

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    42. Ma, ZW; Lee, LC
      Hall effects on the generation of field-aligned currents in three-dimensional magnetic reconnection

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    43. Wang, W; Killeen, TL; Burns, AG; Reinisch, BW
      A real-time model-observation comparison of F-2 peak electron densities during the Upper Atmospheric Research Collaboratory campaign of October 1997

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    44. Singh, N; Loo, SM; Wells, E
      Electron hole structure and its stability depending on plasma magnetization

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    45. Fujimoto, M; Nagai, T; Yokokawa, N; Yamade, Y; Mukai, T; Saito, Y; Kokubun, S
      Tailward electrons at the lobe-plasma sheet interface detected upon dipolarizations

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    46. Wescott, EM; Sentman, DD; Stenbaek-Nielsen, HC; Huet, P; Heavner, MJ; Moudry, DR
      New evidence for the brightness and ionization of blue starters and blue jets

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    47. Sugiyama, T; Fujimoto, M; Mukai, T
      Quick ion injection and acceleration at quasi-parallel shocks

      JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
    48. Karner, SL; Marone, C
      Frictional restrengthening in simulated fault gouge: Effect of shear load perturbations

      JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
    49. Ripepe, M; Ciliberto, S; Della Schiava, M
      Time constraints for modeling source dynamics of volcanic explosions at Stromboli

      JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
    50. Drake, TG; Calantoni, J
      Discrete particle model for sheet flow sediment transport in the nearshore

      JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS
    51. Haarpaintner, J; Gascard, JC; Haugan, PM
      Ice production and brine formation in Storfjorden, Svalbard

      JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS
    52. Calhoun, RJ; Street, RL; Koseff, JR
      Turbulent flow over a wavy surface: Stratified case

      JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS
    53. Jeffries, MO; Morris, K; Maksym, T; Kozlenko, N; Tin, T
      Autumn sea ice thickness, ridging and heat flux variability in and adjacent to Terra Nova Bay, Ross Sea, Antarctica

      JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS
    54. Fonti, S; Jurewicz, A; Blanco, A; Blecka, MI; Orofino, V
      Presence and detection of carbonates on the Martian surface

      JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS
    55. Haberle, RM; McKay, CP; Schaeffer, J; Cabrol, NA; Grin, EA; Zent, AP; Quinn, R
      On the possibility of liquid water on present-day Mars

      JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS
    56. Hinson, DP; Tyler, GL; Hollingsworth, JL; Wilson, RJ
      Radio occultation measurements of forced atmospheric waves on Mars

      JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS
    57. Thompson, MA; Weinshilboum, RM; El Yazal, J; Wood, TC; Pang, YC
      Rabbit indolethylamine N-methyltransferase three-dimensional structure prediction: a model approach to bridge sequence to function in pharmacogenomicstudies

      JOURNAL OF MOLECULAR MODELING
    58. Lindahl, E; Hess, B; van der Spoel, D
      GROMACS 3.0: a package for molecular simulation and trajectory analysis

      JOURNAL OF MOLECULAR MODELING
    59. 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
    60. Sternberg, U; Koch, FT; Brauer, M; Kunert, M; Anders, E
      Molecular mechanics for zinc complexes with fluctuating atomic charges

      JOURNAL OF MOLECULAR MODELING
    61. Mollhoff, M; Sternberg, U
      Molecular mechanics with fluctuating atomic charges - a new force field with a semi-empirical charge calculation

      JOURNAL OF MOLECULAR MODELING
    62. Cao, Y; West, AC
      Direct numerical simulation of nucleation and three-dimensional, diffusion-controlled growth on disk microelectrodes

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    63. Gavaghan, DJ; Elton, D; Bond, AM
      A comparison of sinusoidal, square wave, sawtooth, and staircase forms of transient ramped voltammetry when a reversible process is analysed in the frequency domain

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    64. Welford, PJ; Brookes, BA; Climent, V; Compton, RG
      The hanging meniscus contact: geometry induced diffusional overpotential. The reduction of oxygen in dimethylsulphoxide at Au(111)

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    65. Mirceski, V
      Square-wave voltammetry of an EC reaction of a partly adsorbed redox couple

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    66. Leventis, N; Gao, XR
      In the presence of very fast comproportionation, sampled current voltammetry and rotating disk electrode voltammetry yield equal two versus one-electron limiting current ratios. Reconciliation through analysis of concentration profiles

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    67. Hitz, C; Lasia, A
      Experimental study and modeling of impedance of the her on porous Ni electrodes

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    68. 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
    69. Fasolka, MJ; Mayes, AM
      Block copolymer thin films: Physics and applications

      ANNUAL REVIEW OF MATERIALS RESEARCH
    70. Cygan, RT
      Molecular modeling in mineralogy and geochemistry

      MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
    71. Gale, JD
      Simulating the crystal structures and properties of ionic materials from interatomic potentials

      MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
    72. Kalinichev, AG
      Molecular simulations of liquid and supercritical water: Thermodynamics, structure, and hydrogen bonding

      MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
    73. Rustad, JR
      Molecular models of surface relaxation, hydroxylation, and surface charging at oxide-water interfaces

      MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
    74. Sherman, DM
      Quantum chemistry and classical simulations of metal complexes in aqueous solutions

      MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
    75. Krishna, R; Smit, B
      Exploiting entropy to separate alkane isomers

      CHEMICAL INNOVATION
    76. Krause, WE; Bellomo, EG; Colby, RH
      Rheology of sodium hyaluronate under physiological conditions

      BIOMACROMOLECULES
    77. Boone, A; Etchevers, P
      An intercomparison of three snow schemes of varying complexity coupled to the same land surface model: Local-scale evaluation at an Alpine site

      JOURNAL OF HYDROMETEOROLOGY
    78. Baker, RD; Lynn, BH; Boone, A; Tao, WK; Simpson, J
      The influence of soil moisture, coastline curvature, and land-breeze circulations on sea-breeze-initiated precipitation

      JOURNAL OF HYDROMETEOROLOGY
    79. Martinez-Abrain, A; Oro, D; Jimenez, J
      The dynamics of a colonization event in the European Shag: The roles of immigration and demographic stochasticity

      WATERBIRDS
    80. Succi, S; Filippova, O; Smith, G; Kaxiras, E
      Applying the lattice Boltzmann equation to multiscale fluid problems

      COMPUTING IN SCIENCE & ENGINEERING
    81. Amadei, A; Iacono, B; Grego, S; Chillemi, G; Apol, MEF; Paci, E; Delfini, M; Di Nola, A
      On the use of the quasi-Gaussian entropy theory in systems of polyatomic flexible molecules

      JOURNAL OF PHYSICAL CHEMISTRY B
    82. Mahadevan, J; Lee, KH; Kuczera, K
      Conformational free energy surfaces of Ala(10) and Aib(10) peptide helicesin solution

      JOURNAL OF PHYSICAL CHEMISTRY B
    83. Neitola, R; Pakkanen, TA
      Ab initio studies on the atomic-scale origin of friction between diamond (111) surfaces

      JOURNAL OF PHYSICAL CHEMISTRY B
    84. Pogocki, D; Ghezzo-Schoneich, E; Schoneich, C
      Conformational flexibility controls proton transfer between the methioninehydroxy sulfuranyl radical and the N-terminal amino group in Thr-(X)(n)-Met peptides

      JOURNAL OF PHYSICAL CHEMISTRY B
    85. Mann, DJ; Zhong, LJ; Hase, WL
      Effect of surface stiffness on the friction of sliding model hydroxylated alpha-alumina surfaces

      JOURNAL OF PHYSICAL CHEMISTRY B
    86. da Rocha, SRP; Johnston, KP; Westacott, RE; Rossky, PJ
      Molecular structure of the water-supercritical CO2 interface

      JOURNAL OF PHYSICAL CHEMISTRY B
    87. Chushak, YG; Bartell, LS
      Melting and freezing of gold nanoclusters

      JOURNAL OF PHYSICAL CHEMISTRY B
    88. Pitera, JW; van Gunsteren, WF
      One-step perturbation methods for solvation free energies of polar solutes

      JOURNAL OF PHYSICAL CHEMISTRY B
    89. Halasz, I; Kim, S; Marcus, B
      Uncommon adsorption isotherm of methanol on a hydrophobic Y-zeolite

      JOURNAL OF PHYSICAL CHEMISTRY B
    90. Buck, M; Karplus, M
      Hydrogen bond energetics: A simulation and statistical analysis of N-methyl acetamide (NMA), water, and human lysozyme

      JOURNAL OF PHYSICAL CHEMISTRY B
    91. Jungwirth, P; Tobias, DJ
      Molecular structure of salt solutions: A new view of the interface with implications for heterogeneous atmospheric chemistry

      JOURNAL OF PHYSICAL CHEMISTRY B
    92. Porion, P; Al Mukhtar, M; Meyer, S; Faugere, AM; van der Maarel, JRC; Delville, A
      Nematic ordering of suspensions of charged anisotropic colloids detected by Na-23 nuclear magnetic resonance

      JOURNAL OF PHYSICAL CHEMISTRY B
    93. Tongraar, A; Sagarik, K; Rode, BM
      Effects of many-body interactions on the preferential solvation of Mg2+ inaqueous ammonia solution: A Born-Oppenheimer ab initio QNL/MM dynamics study

      JOURNAL OF PHYSICAL CHEMISTRY B
    94. Meyer, S; Levitz, P; Delville, A
      Influence of the relative orientation of two charged anisotropic colloidalparticles on their electrostatic coupling: A (N,V,T) Monte Carlo study

      JOURNAL OF PHYSICAL CHEMISTRY B
    95. Schurhammer, R; Engler, E; Wipff, G
      Hydrophobic ions in TIP5P water and at a water- chloroform interface: The effect of sign inversion investigated by MD and FEP simulations

      JOURNAL OF PHYSICAL CHEMISTRY B
    96. Zhou, RH; Friesner, RA; Ghosh, A; Rizzo, RC; Jorgensen, WL; Levy, RM
      New linear interaction method for binding affinity calculations using a continuum solvent model

      JOURNAL OF PHYSICAL CHEMISTRY B
    97. Liu, B; Tong, CH; Yang, YL
      The kinetics and phase patterns in a ternary mixture coupled with chemicalreaction of A+B-Gamma 1 reversible arrow C-Gamma 1

      JOURNAL OF PHYSICAL CHEMISTRY B
    98. Shelley, JC; Shelley, MY; Reeder, RC; Bandyopadhyay, S; Moore, PB; Klein, ML
      Simulations of phospholipids using a coarse grain model

      JOURNAL OF PHYSICAL CHEMISTRY B
    99. Lotfollahi, MN; Modarress, H; Mansoori, GA
      Application of integral equation joined with the chain association theory to study molecular association in sub- and supercritical water

      JOURNAL OF PHYSICAL CHEMISTRY B
    100. 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


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Documento generato il 30/10/20 alle ore 01:12:25