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La ricerca find articoli where soggetti phrase all words 'CHEMICAL-REACTIONS' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 1604 riferimenti
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    1. Ponjee, MWG; Reijme, MA; van der Gon, AWD; Brongersma, HH; Langeveld-Voss, BMW
      Intermolecular segregation of siloxane in P3HT: surface quantification andmolecular surface-structure

      POLYMER
    2. Rudolph, M
      Digital simulation with the fast implicit finite difference (FIFD) algorithm - Part 5: Digital simulations of square wave voltammetry for any user defined electrochemical mechanism comprising first- and second-order chemicalreactions

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    3. Finklea, HO
      Consequences of a potential-dependent transfer coefficient in ac voltammetry and in coupled electron-proton transfer for attached redox couples

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    4. Resat, H; Wiley, HS; Dixon, DA
      Probability-weighted dynamic Monte Carlo method for reaction kinetics simulations

      JOURNAL OF PHYSICAL CHEMISTRY B
    5. Schenter, GK; Garrett, BC; Truhlar, DG
      The role of collective solvent coordinates and nonequilibrium solvation incharge-transfer reactions

      JOURNAL OF PHYSICAL CHEMISTRY B
    6. Korzeniewski, C; Kardash, D
      Use of a dynamic Monte Carlo simulation in the study of nucleation-and-growth models for CO electrochemical oxidation

      JOURNAL OF PHYSICAL CHEMISTRY B
    7. Yang, SL; Cao, JS
      Two-event echos in single-molecule kinetics: A signature of conformationalfluctuations

      JOURNAL OF PHYSICAL CHEMISTRY B
    8. Xing, JH; Coronado, EA; Miller, WH
      Some new classical and semiclassical models for describing tunneling processes with real-valued classical trajectories

      JOURNAL OF PHYSICAL CHEMISTRY B
    9. Strajbl, M; Florian, J; Warshel, A
      Ab initio evaluation of the free energy surfaces for the general base/acidcatalyzed thiolysis of formamide and the hydrolysis of methyl thiolformate: A reference solution reaction for studies of cysteine proteases

      JOURNAL OF PHYSICAL CHEMISTRY B
    10. Hou, ZS; Han, BX; Zhang, XG; Zhang, HF; Liu, ZM
      Pressure tuning of reaction equilibrium of esterification of acetic acid with ethanol in compressed CO2

      JOURNAL OF PHYSICAL CHEMISTRY B
    11. Zimdars, D; Eisenthal, KB
      Static and dynamic solvation at the air/water interface

      JOURNAL OF PHYSICAL CHEMISTRY B
    12. Castillo, R; Andres, J; Moliner, V
      Quantum mechanical/molecular mechanical study on the Favorskii rearrangement in aqueous media

      JOURNAL OF PHYSICAL CHEMISTRY B
    13. Enemaerke, RJ; Christensen, TB; Jensen, H; Daasbjerg, K
      Application of a new kinetic method in the investigation of cleavage reactions of haloaromatic radical anions

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    14. Nguyen, LT; De Proft, F; Nguyen, MT; Geerlings, P
      Theoretical study of cyclopropenones and cyclopropenethiones: decomposition via intermediates

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    15. Pham-Tran, NN; Nguyen, HMT; Veszpremi, T; Nguyen, MT
      Theoretical study of the ring opening of phosphirane and silirane: contrasting mechanisms of hydrogen migration

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    16. Wodtke, AM
      Chemistry with stretched molecules

      PHYSICS AND CHEMISTRY OF THE EARTH PART C-SOLAR-TERRESTIAL AND PLANETARY SCIENCE
    17. Vikhrenko, VS; Schwarzer, D; Schroeder, J
      Microscopic description of vibrational energy relaxation in supercritical fluids: On the dominance of binary solute-solvent contributions

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    18. Cremer, D; Wu, AA; Kraka, E
      The mechanism of the reaction FH+H2C=CH2 -> H3C-CFH2. Investigation of hidden intermediates with the unified reaction valley approach

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    19. Noli, C; Connor, JNL; Rougeau, N; Kubach, C
      Nearside farside analysis of differential cross sections: The reaction I+HI -> IH+I

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    20. Pagliai, M; Raugei, S; Cardini, G; Schettino, V
      Ab-initio molecular dynamics study of the S(N)2 reaction Cl-+ClCH2CN

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    21. Dashevskaya, EI; Litvin, I; Nikitin, EE; Troe, J
      Classical diffusion model of vibrational predissociation of van der Waals complexes - Part II. Comparison with trajectory calculations and analyticalapproximations

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    22. Christen, W; Even, U
      Collision-induced fragmentation and neutralization of methanol cluster cations

      EUROPEAN PHYSICAL JOURNAL D
    23. Murtha, Z; Rabitz, H
      Non-iterative optimal design of quantum controls

      EUROPEAN PHYSICAL JOURNAL D
    24. Leal, AS; Kroner, D; Gonzalez, L
      Isotopic effects on the control of molecular handedness of H2POSH by ultrashort laser pulses

      EUROPEAN PHYSICAL JOURNAL D
    25. Gail, HP
      Radial mixing in protoplanetary accretion disks - I. Stationary disc models with annealing and carbon combustion

      ASTRONOMY & ASTROPHYSICS
    26. Schuster, P
      Evolution in silico and in vitro: The RNA model

      BIOLOGICAL CHEMISTRY
    27. Zheng, XY; Harata, A; Ogawa, T
      Study of the adsorptive behavior of water-soluble dye molecules (rhodamine6G) at the air-water interface using confocal fluorescence microscope

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    28. Franzreb, M; Hausmann, R; Hoffmann, C; Holl, WH
      Liquid-phase mass transfer of magnetic ion exchangers in magnetically influenced fluidized beds - I. DC fields

      REACTIVE & FUNCTIONAL POLYMERS
    29. Hutson; Whitaker; Vilesov; Howard; McKellar; Patel; Wheeler; Gerber; Garrett; Halberstadt; Lehmann; Polanyi; Miller; Lester; Bacic; Suhm; Harvey; Mestdagh; Whitaker; Bunker; Neumark
      General discussion

      FARADAY DISCUSSIONS
    30. Briant, M; Gaveau, MA; Fournier, PR; Mestdagh, JM; Visticot, JP; Soep, B
      Excited state reactions of metals in clusters: Pluridimensional harpoon and solvation effects

      FARADAY DISCUSSIONS
    31. Heal, MR; Booth, BBB; Cape, JN; Hargreaves, KJ
      The influence of simplified peroxy radical chemistry on the interpretationof NO2-NO-O-3 surface exchange

      ATMOSPHERIC ENVIRONMENT
    32. Adamcikova, L; Farbulova, Z; Sevcik, P
      Dynamic behavior during the oxidation of phenol with bromate in a closed reactor

      NEW JOURNAL OF CHEMISTRY
    33. Balucani, N; Mebel, AM; Lee, YT; Kaiser, RI
      A combined crossed molecular beam and ab initio study of the reactions C-2(X-1 Sigma(+)(g), a(3)Pi(u))+C2H4 -> n-C4H3(X(2)A ')+H(S-2(1/2))

      JOURNAL OF PHYSICAL CHEMISTRY A
    34. Hayes, SC; Cooksey, CC; Wallace, PM; Reid, PJ
      Femtosecond UV pump/near-IR probe studies of the solvent-dependent excited-state decay dynamics of chlorine dioxide

      JOURNAL OF PHYSICAL CHEMISTRY A
    35. Glebov, EM; Krishtopa, LG; Stepanov, V; Krasnoperov, LN
      Kinetics of a Diels-Alder reaction of maleic anhydride and isoprene in supercritical CO2

      JOURNAL OF PHYSICAL CHEMISTRY A
    36. Millefiori, S; Alparone, A
      Ab initio study of the structure and polarizability of sulfur clusters, S-n (n=2-12)

      JOURNAL OF PHYSICAL CHEMISTRY A
    37. Gorelik, VR; Maeda, K; Yashiro, H; Murai, H
      Microwave-induced quantum beats in micellized radical pairs under spin-locking conditions

      JOURNAL OF PHYSICAL CHEMISTRY A
    38. Sumathi, R; Carstensen, HH; Green, WH
      Reaction rate prediction via group additivity Part 1: H abstraction from alkanes by H and CH3

      JOURNAL OF PHYSICAL CHEMISTRY A
    39. Michalak, A; Ziegler, T
      First-principle molecular dynamic simulations along the intrinsic reactionpaths

      JOURNAL OF PHYSICAL CHEMISTRY A
    40. Chandra, AK; Uchimaru, T
      Hardness profile: A critical study

      JOURNAL OF PHYSICAL CHEMISTRY A
    41. Shimada, E; Nagano, M; Iwahashi, M; Mori, Y; Sakaguchi, Y; Hayashi, M
      Reaction pathways of the electron transfer from photoexcited 10-methylphenothiazines to electron acceptors in polar solvents. Effects of magnetic fields and heavy atoms on efficiency of free ion formation

      JOURNAL OF PHYSICAL CHEMISTRY A
    42. Abu Bajeh, M; Goldfield, EM; Nanf, A; Kappel, C; Meijer, AJHM; Volpp, HR; Wolfrum, J
      Dynamics of the H+O-2 -> O+OHchain-branching reaction: Accurate quantum mechanical and experimental absolute reaction cross sections

      JOURNAL OF PHYSICAL CHEMISTRY A
    43. Schatz, GC; Fisher, B; Grande, W; Kumayama, K; Pederson, LA
      Reactive and nonreactive quenching of OH(A (2)Sigma(+)) in collisions withH atoms

      JOURNAL OF PHYSICAL CHEMISTRY A
    44. Bean, BD; Fernandez-Alonso, F; Zare, RN
      Distribution of rovibrational product states for the "prompt" reaction H+D-2(nu=0,j=0-4) -> HD(nu '=1,2,j ')+D near 1.6 eV collision energy

      JOURNAL OF PHYSICAL CHEMISTRY A
    45. Mahapatra, S; Koppel, H; Cederbaum, LS
      Reactive scattering dynamics on conically intersecting potential energy surfaces: The H+H-2 exchange reaction

      JOURNAL OF PHYSICAL CHEMISTRY A
    46. Song, KY; Hase, WL
      Anharmonic semiclassical variational transition-state theory rate constantmodel for H atom association with different sites on the diamond {111} surface

      JOURNAL OF PHYSICAL CHEMISTRY A
    47. Cassen, P
      Nebular thermal evolution and the properties of primitive planetary materials

      METEORITICS & PLANETARY SCIENCE
    48. Sarkisov, OM; Petrukhin, AN; Gostev, FE; Titov, AA
      Control of elementary chemical reactions by femtosecond light pulses

      QUANTUM ELECTRONICS
    49. Inoue-Ushiyama, A; Takatsuka, K
      Semiclassical quantization of strongly chaotic vibrations in an M-7-like cluster - art. no. 056223

      PHYSICAL REVIEW E
    50. Plenge, F; Rodin, P; Scholl, E; Krischer, K
      Breathing current domains in globally coupled electrochemical systems: A comparison with a semiconductor model - art. no. 056229

      PHYSICAL REVIEW E
    51. Cash, JL; Dahnovsky, Y
      Driven electron transfer in an environment with slow and fast degrees of freedom - art. no. 016104

      PHYSICAL REVIEW E
    52. Zhdanov, VP
      Simulation of enzymatic cellular reactions complicated by phase separation- art. no. 011908

      PHYSICAL REVIEW E
    53. Murphy, SA; Meszena, ZG; Johnson, AF
      Experimental and modelling studies with mixers for potential use with fastpolymerisations in tubular reactors

      POLYMER REACTION ENGINEERING
    54. Magno, WC; Prandini, RB; Nussenzveig, P; Vianna, SS
      Four-wave mixing with Rydberg levels in rubidium vapor: Observation of interference fringes - art. no. 063406

      PHYSICAL REVIEW A
    55. Leibscher, M; Averbukh, IS
      Optimal control of wave-packet isotope separation - art. no. 043407

      PHYSICAL REVIEW A
    56. Wang, CS; Huang, NX; Tang, ZL; Zhu, L; Hungenberg, KD
      Monte Carlo technique to simulate amide interchange reactions, 1 - Basic model and PA6/PA69 blend system

      MACROMOLECULAR CHEMISTRY AND PHYSICS
    57. He, XH; Liang, HJ; Pan, CY
      Monte Carlo simulation of hyperbranched copolymerizations in the presence of a multifunctional initiator

      MACROMOLECULAR THEORY AND SIMULATIONS
    58. Elnashaie, SSEH; Harraz, HM; Abashar, ME
      Homoclinical chaos and the period-adding route to complex non-chaotic attractors in fluidized bed catalytic reactors

      CHAOS SOLITONS & FRACTALS
    59. McCaffery, AJ; Marsh, RJ
      Atom-molecule collisions; the role of nuclear dynamics

      JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
    60. Biswas, S; Mukherjee, K; Basu, SN; Mukherjee, DC; Moulik, SP
      Oscillatory reaction of bromate-gallic acid. A calorimetric and electrometric study in aquo-organic solvent media

      ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
    61. Lu, Y; Yin, YD; Xia, YN
      Preparation and characterization of micrometer-sized "egg shells"

      ADVANCED MATERIALS
    62. Batista, ER; Jonsson, H
      Diffusion and Island formation on the ice Ih basal plane surface

      COMPUTATIONAL MATERIALS SCIENCE
    63. Armbruster, U; Martin, A; Krepel, A
      Partial oxidation of propane in sub- and supercritical water

      JOURNAL OF SUPERCRITICAL FLUIDS
    64. Gross, J; Sadowski, G
      Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules

      INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
    65. Vora, N; Daoutidis, P
      Dynamics and control of an ethyl acetate reactive distillation column

      INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
    66. Adewuyi, YG
      Sonochemistry: Environmental science and engineering applications

      INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
    67. Dooling, DJ; Broadbelt, LJ
      Generic Monte Carlo tool for kinetic modeling

      INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
    68. Okur, H; Bayramoglu, M
      The effect of the liquid-phase activity model on the simulation ethyl acetate production by reactive distillation

      INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
    69. Doppiu, S; Monagheddu, M; Cocco, G; Maglia, F; Anselmi-Tamburini, U; Munir, ZA
      Mechanochemistry of the titanium-silicon system: Compositional effects

      JOURNAL OF MATERIALS RESEARCH
    70. Kylian, O; Leys, C; Hrachova, V
      Spectroscopic study of CO2 decomposition in sealed-off CO2 lasers

      CONTRIBUTIONS TO PLASMA PHYSICS
    71. McGrouther, KG; Delagoutte, T; Suckling, ID
      Effect of transition metal ions on reactions of peroxymonosulphate with lignin and carbohydrate model compounds

      JOURNAL OF PULP AND PAPER SCIENCE
    72. Henglein, A
      Reduction of Ag(CN)(2)(-) on silver and platinum colloidal nanoparticles

      LANGMUIR
    73. Velikov, KP; van Blaaderen, A
      Synthesis and characterization of monodisperse core-shell colloidal spheres of zinc sulfide and silica

      LANGMUIR
    74. Burakov, VS; Tarasenko, NV; Savastenko, NA
      Plasma chemistry in laser ablation processes

      SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
    75. Barker, JR
      Multiple-well, multiple-path unimolecular reaction systems. I. MultiWell computer program suite

      INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
    76. Barker, JR; Ortiz, NF
      Multiple-well, multiple-path unimolecular reaction systems. II. 2-methylhexyl free radicals

      INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
    77. Feiertag, P; Kavc, T; Meyer, U; Gsoels, I; Kern, W; Rom, I; Hofer, F
      Patterned modification of polymer surfaces employing UV sensitive gases

      SYNTHETIC METALS
    78. Elyashevich, GK; Lavrentyev, VK; Kuryndin, IS; Rosova, EY
      Properties of polymer conducting thin layers on the surface of microporouspolyethylene films

      SYNTHETIC METALS
    79. Venkatesh, PK
      On stochastic formalisms in transition state theory

      PHYSICA A
    80. Peng, CJ; Liu, HL; Hu, Y
      Solid-liquid equilibria based on an equation of state for chain fluids

      FLUID PHASE EQUILIBRIA
    81. Hitchcock, AP; Ennis, LE; Lehmann, JF; Denk, MK
      Transient ISEELS: a new probe of chemical reactions

      JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
    82. Takayanagi, T; Wada, A
      Reduced dimensionality quantum reactive scattering calculations on the ab initio potential energy surface for the O(D-1)+N2O -> NO+NOreaction

      CHEMICAL PHYSICS
    83. Liao, JL; Pollak, E
      Quantum transition state theory for dissipative systems

      CHEMICAL PHYSICS
    84. Turinici, G; Rabitz, H
      Quantum wavefunction controllability

      CHEMICAL PHYSICS
    85. Malinovsky, VS; Krause, JL
      Control of non-Franck-Condon transitions: lighting a dark state

      CHEMICAL PHYSICS
    86. Hoki, K; Kroner, D; Manz, J
      Selective preparation of enantiomers from a racemate by laser pulses: model simulation for oriented atropisomers with coupled rotations and torsions

      CHEMICAL PHYSICS
    87. Dove, T; Schmidt, TW; Lopez-Martens, RB; Roberts, G
      Optical control of electronic state populations via the dynamic Stark effect

      CHEMICAL PHYSICS
    88. Amitay, Z; Ballard, JB; Stauffer, HU; Leone, SR
      Phase-tailoring molecular wave packets to time shift their dynamics

      CHEMICAL PHYSICS
    89. Brixner, T; Kiefer, B; Gerber, G
      Problem complexity in femtosecond quantum control

      CHEMICAL PHYSICS
    90. Okumura, K; Jonas, DM; Tanimura, Y
      Two-dimensional spectroscopy and harmonically coupled anharmonic oscillators

      CHEMICAL PHYSICS
    91. Grahek, Z
      Calcium-strontium separation by means of mixed solvent anion exchange

      JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
    92. Anglada, JM; Besalu, E; Bofill, JM; Crehuet, R
      On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    93. Miura, Y; Kasai, H; Dina, WG; Okiji, A
      Effects of surface corrugation on the molecular rotational dependence of H-2 dissociative adsorption dynamics on Cu(100)

      APPLIED SURFACE SCIENCE
    94. Moula, MG; Wako, S; Cao, GY; Kobal, I; Ohno, Y; Matsushima, T
      Velocity distribution of desorbing CO2 in CO oxidation on Pd(110) under steady-state conditions

      APPLIED SURFACE SCIENCE
    95. Datsyuk, VV
      Optics of microdroplets

      JOURNAL OF MOLECULAR LIQUIDS
    96. Threlfall, CA; Cole, TE
      Migration tendencies of alkyl groups in the rearrangements of lithium trialkyl ethynyl borates: semi-empirical analysis of the transition state

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    97. Do, T; McIntyre, NS
      Effects of temperature and Ar+ ion bombardment on the initial oxidation stages of polycrystalline aluminium with water vapour

      SURFACE AND INTERFACE ANALYSIS
    98. Jimenez, L; Wanhschafft, OM; Julka, V
      Analysis of residue curve maps of reactive and extractive distillation units

      COMPUTERS & CHEMICAL ENGINEERING
    99. Patel, S; Rabone, J; Russell, S; Tissen, J; Klaffke, W
      Iterated reaction graphs: Simulating complex Maillard reaction pathways

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    100. Reidys, C; Forst, CV; Schuster, P
      Replication and mutation on neutral networks

      BULLETIN OF MATHEMATICAL BIOLOGY


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Documento generato il 01/09/14 alle ore 23:01:52