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La ricerca find articoli where soggetti phrase all words 'DISSOCIATIVE ADSORPTION' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 218 riferimenti
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    1. Steckel, JA; Phung, T; Jordan, KD; Nachtigall, P
      Concerted use of slab and cluster models in an ab initio study of hydrogendesorption from the Si(100) surface

      JOURNAL OF PHYSICAL CHEMISTRY B
    2. Wang, GT; Mui, C; Musgrave, CB; Bent, SF
      Effect of a methyl-protecting group on the adsorption of pyrrolidine on Si(100)-2 x 1

      JOURNAL OF PHYSICAL CHEMISTRY B
    3. Rutkowski, M; Zacharias, H
      Simulation of the surface reaction of D-2 on a sulfur covered Pd(100) surface

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    4. Brenig, W; Hilf, MF
      Reaction dynamics of H-2 and D-2 on Si(100) and Si(111)

      JOURNAL OF PHYSICS-CONDENSED MATTER
    5. Marinas, A; Guillard, C; Marinas, JM; Fernandez-Alba, A; Aguera, A; Herrmann, JM
      Photocatalytic degradation of pesticide-acaricide formetanate in aqueous suspension of TiO2

      APPLIED CATALYSIS B-ENVIRONMENTAL
    6. Widjaja, Y; Musgrave, CB
      Ab initio study of the initial growth mechanism of silicon nitride on Si(100)-(2X1) using NH3 - art. no. 205303

      PHYSICAL REVIEW B
    7. Hult, E; Hyldgaard, P; Rossmeisl, J; Lundqvist, BI
      Density-functional calculation of van der Waals forces for free-electron-like surfaces - art. no. 195414

      PHYSICAL REVIEW B
    8. Wetzig, D; Rutkowski, M; Zacharias, H; Gross, A
      Vibrational and rotational population distribution of D-2 associatively desorbing from Pd(100) - art. no. 205412

      PHYSICAL REVIEW B
    9. de Leeuw, NH; Purton, JA
      Density-functional theory calculations of the interaction of protons and water with low-coordinated surface sites of calcium oxide - art. no. 195417

      PHYSICAL REVIEW B
    10. Rignanese, GM; Pasquarello, A
      Nitrogen bonding configurations at nitrided Si(001) surfaces and Si(001)-SiO2 interfaces: A first-principles study of core-level shifts - art. no. 075307

      PHYSICAL REVIEW B
    11. Rignanese, GM; Pasquarello, A
      Nitrogen 1s core-level shifts at the NH3 saturated Si(100)-2 x 1 surface: a first-principles study

      SURFACE SCIENCE
    12. Beutl, M; Lesnik, J
      Adsorption dynamics of hydrogen and carbon monoxide on V/Pd(111) alloy surfaces

      SURFACE SCIENCE
    13. Trushin, OS; Salo, P; Alatalo, M; Ala-Nissila, T
      Atomic mechanisms of cluster diffusion on metal fcc(100) surfaces

      SURFACE SCIENCE
    14. Mittendorfer, F; Hafner, J
      Density-functional study of the adsorption of benzene on the (111), (100) and (110) surfaces of nickel

      SURFACE SCIENCE
    15. Busnengo, HF; Dong, W; Sautet, P; Salin, A
      Surface temperature dependence of rotational excitation of H-2 scattered from Pd(111) - art. no. 127601

      PHYSICAL REVIEW LETTERS
    16. Schmidt, PK; Christmann, K; Kreese, G; Hafner, J; Lischka, M; Gross, A
      Coexistence of atomic and molecular chemisorption states: H-2/Pd(210) - art. no. 096103

      PHYSICAL REVIEW LETTERS
    17. Durr, M; Raschke, MB; Pehlke, E; Hofer, U
      Structure sensitive reaction channels of molecular hydrogen on silicon surfaces

      PHYSICAL REVIEW LETTERS
    18. Diekhoner, L; Mortensen, H; Baurichter, A; Luntz, AC
      Laser assisted associative desorption of N-2 and CO from Ru(0001)

      JOURNAL OF CHEMICAL PHYSICS
    19. Carlsson, AF; Madix, RJ
      The dynamics of ethylene adsorption on Pt(111) into di-sigma and pi-bondedstates

      JOURNAL OF CHEMICAL PHYSICS
    20. Tok, ES; Kang, HC
      Reaction path for hydrogen adsorption and desorption on Si(100)-(2X1)

      JOURNAL OF CHEMICAL PHYSICS
    21. Watts, E; Sitz, GO
      State-to-state scattering in a reactive system: H-2(v=1,J=1) from Cu(100)

      JOURNAL OF CHEMICAL PHYSICS
    22. Mowrey, RC; McCormack, DA; Kroes, GJ; Baerends, EJ
      Vibrational de-excitation of v=1 H-2 during collisions with a Cu(100) surface

      JOURNAL OF CHEMICAL PHYSICS
    23. Watts, E; Sitz, GO; McCormack, DA; Kroes, GJ; Olsen, RA; Groeneveld, JA; Van Stralen, JNP; Baerends, EJ; Mowrey, RC
      Rovibrationally inelastic scattering of (v=1, j=1) H-2 from Cu(100) experiment and theory

      JOURNAL OF CHEMICAL PHYSICS
    24. Eichler, A; Hafner, J
      NO reduction by CO on the Pt(100) surface - A density functional theory study

      JOURNAL OF CATALYSIS
    25. Almeida, AL; Martins, JBL; Longo, E; Furtado, NC; Taft, CA; Sambrano, JR; Lester, WA
      Theoretical study of MgO(001) surfaces: Pure, doped with Fe, Ca, and Al, and with and without adsorbed water

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    26. Srivastava, GP
      Geometry, electrons, phonons and reactions on Si(001) surfaces

      COMPUTER PHYSICS COMMUNICATIONS
    27. Beutl, M; Lesnik, J; Rendulic, KD; Hirschl, R; Eichler, A; Kresse, G; Hafner, J
      There is a true precursor for hydrogen adsorption after all: the system H-2/Pd(111)+subsurface V

      CHEMICAL PHYSICS LETTERS
    28. Barriocanal, JA; Doren, DJ
      Reactions of nitromethane on Si(100): First-principles predictions

      JOURNAL OF PHYSICAL CHEMISTRY B
    29. de Leeuw, NH; Parker, SC; Sithole, HM; Ngoepe, PE
      Modeling the surface structure and reactivity of pyrite: Introducing a potential model for FeS2

      JOURNAL OF PHYSICAL CHEMISTRY B
    30. Juurlink, LBF; Smith, RR; Utz, AL
      Controlling surface chemistry with light: Spatially resolved deposition ofrovibrational-state-selected molecules

      JOURNAL OF PHYSICAL CHEMISTRY B
    31. Widjaja, Y; Mysinger, MM; Musgrave, CB
      Ab initio study of adsorption and decomposition of NH3 on Si(100)-(2x1)

      JOURNAL OF PHYSICAL CHEMISTRY B
    32. Darling, GR; Wang, ZS; Holloway, S
      Exploring the applicability of classical mechanics in H-2 scattering and reaction at metal surfaces

      PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    33. Zhang, JZH; Zhang, DH
      Quantum wavepacket approach to chemical reaction dynamics. Perspective on "Dynamics of the collinear H+H-2 reaction. I. Probability density and flux"- McCullough EA Jr, Wyatt RE (1971) J Chem Phys 54 : 3578

      THEORETICAL CHEMISTRY ACCOUNTS
    34. Sakakini, BH; Tabatabaei, J; Watson, MJ; Waugh, KC
      Structural changes of the Cu surface of a Cu/ZnO/Al2O3 catalyst, resultingfrom oxidation and reduction, probed by CO infrared spectroscopy

      JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
    35. Kazansky, VB; Borovkov, VY; Serikh, AI; van Santen, RA; Anderson, BG
      Nature of the sites of dissociative adsorption of dihydrogen and light paraffins in ZnHZSM-5 zeolite prepared by incipient wetness impregnation

      CATALYSIS LETTERS
    36. Wang, JS
      Series expansion and computer simulation studies of random sequential adsorption

      COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
    37. Gross, A
      Ab initio molecular dynamics simulations of reactions at surfaces

      PHYSICA STATUS SOLIDI B-BASIC RESEARCH
    38. Hammer, B; Norskov, JK
      Theoretical surface science and catalysis - Calculations and concepts

      ADVANCES IN CATALYSIS, VOL 45
    39. de Leeuw, NH; Parker, SC; Catlow, CRA; Price, GD
      Modelling the effect of water on the surface structure and stability of forsterite

      PHYSICS AND CHEMISTRY OF MINERALS
    40. Xiao, XY; Sun, SG; Wu, QH; Zhou, ZY; Chen, SP
      In situ FTIR spectroscopic investigations of dissociative adsorption and electrooxidation of glycine at the Pt electrode in alkaline solutions

      CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
    41. Martensson, P; Larsson, K; Carlsson, JO
      Atomic layer epitaxy of copper: an ab initio investigation of the CuCl/H-2process III. Reaction barriers

      APPLIED SURFACE SCIENCE
    42. Billing, GD
      Quantum-classical formulation of molecular dynamics: the second quantization formulation of hydrogen-copper collisions

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    43. Eichler, A; Mittendorfer, F; Hafner, J
      Precursor-mediated adsorption of oxygen on the (111) surfaces of platinum-group metals

      PHYSICAL REVIEW B
    44. Cho, JH; Kim, KS
      Hydrogen-bonded array of NH2 on the Si(100) surface

      PHYSICAL REVIEW B
    45. Trushin, OS; Salo, P; Ala-Nissila, T
      Energetics and many-particle mechanisms of two-dimensional cluster diffusion on Cu(100) surfaces

      PHYSICAL REVIEW B
    46. Bater, C; Sanders, M; Craig, JH
      Ammonia as a precursor in electron-enhanced nitridation of Si(100)

      SURFACE AND INTERFACE ANALYSIS
    47. Dino, WA; Kasai, H; Okiji, A
      Orientational effects in dissociative adsorption/associative desorption dynamics of H-2(D-2) on Cu and Pd

      PROGRESS IN SURFACE SCIENCE
    48. Tillack, B; Heinemann, B; Knoll, D
      Atomic layer doping of SiGe - fundamentals and device applications

      THIN SOLID FILMS
    49. Brenig, W; Hilf, MF; Brako, R
      Optimized basis functions for coupled channel calculations

      SURFACE SCIENCE
    50. Wang, ZS; Darling, GR; Holloway, S
      Translation-to-rotational energy transfer in scattering of H-2 molecules from Cu(111) surfaces

      SURFACE SCIENCE
    51. Carlsson, AF; Madix, RJ
      The dynamics of argon and methane trapping on Pt(111) at 30 and 50 K: energy scaling and coverage dependence

      SURFACE SCIENCE
    52. Maurice, V; Cadot, S; Marcus, P
      XPS, LEED and STM study of thin oxide films formed on Cr(110)

      SURFACE SCIENCE
    53. de Leeuw, NH; Purton, JA; Parker, SC; Watson, GW; Kresse, G
      Density functional theory calculations of adsorption of water at calcium oxide and calcium fluoride surfaces

      SURFACE SCIENCE
    54. McCabe, PR; Juurlink, LBF; Utz, AL
      A molecular beam apparatus for eigenstate-resolved studies of gas-surface reactivity

      REVIEW OF SCIENTIFIC INSTRUMENTS
    55. Dino, WA; Kasai, H; Okiji, A
      Dissociative adsorption dynamics of H-2(D-2) on metal alloy surfaces - A first step towards surface reaction design/control

      JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
    56. Miura, Y; Dino, WA; Kasai, H; Okiji, A
      Effects of correlation between molecular diffraction and rotational excitation on the scattering dynamics of H-2 from Cu(001)

      JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
    57. Zimmermann, FM; Pan, X
      Interaction of H-2 with Si(001)-(2 x 1): Solution of the barrier puzzle

      PHYSICAL REVIEW LETTERS
    58. Henkelman, G; Uberuaga, BP; Jonsson, H
      A climbing image nudged elastic band method for finding saddle points and minimum energy paths

      JOURNAL OF CHEMICAL PHYSICS
    59. Henkelman, G; Jonsson, H
      Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

      JOURNAL OF CHEMICAL PHYSICS
    60. Bonini, N; Trioni, MI; Brivio, GP
      An investigation of adatom bonding at metals by the electron localization function

      JOURNAL OF CHEMICAL PHYSICS
    61. Adhikari, S; Billing, GD
      Four-dimensional quantum and two-dimensional classical mechanical study ofmolecule-surface interactions

      JOURNAL OF CHEMICAL PHYSICS
    62. Loh, ZH; Kang, HC
      Chemisorption of NH3 on Si(100)-(2x1): A study by first-principles ab initio and density functional theory

      JOURNAL OF CHEMICAL PHYSICS
    63. Pankov, AY; Krylov, SY; van Duijn, EJ; Hermans, LJF
      On the problem of rotational-state-dependent molecule-surface interaction:Relaxation, accommodation and trapping at low J

      JOURNAL OF CHEMICAL PHYSICS
    64. Busnengo, HF; Salin, A; Dong, W
      Representation of the 6D potential energy surface for a diatomic molecule near a solid surface

      JOURNAL OF CHEMICAL PHYSICS
    65. Castro, M; Zulicke, L; Miller, WH; Saalfrank, P; Ladik, J; Nagaoka, M
      Panel discussion: On "The status of the theory of chemical reactions," Third CISTCP, Mexico City, November 8-13, 1999

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    66. Rignanese, GM; Pasquarello, A
      First-principles study of NH3 exposed Si(001)2x1: Relation between N 1s core-level shifts and atomic structure

      APPLIED PHYSICS LETTERS
    67. de Leeuw, NH; Parker, SC; Catlow, CRA; Price, GD
      Proton-containing defects at forsterite {010} tilt grain boundaries and stepped surfaces

      AMERICAN MINERALOGIST
    68. Ledentu, V; Dong, W; Sautet, P
      Heterogeneous catalysis through subsurface sites

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    69. Sun, SG; Yang, YY
      Studies of kinetics of HCOOH oxidation on Pt(100), Pt(110), Pt(111), Pt(510) and Pt(911) single crystal electrodes

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    70. Kroes, GJ
      Quantum dynamics of H-2-surface scattering: H-2+LiF(001) and H-2+Cu(100)

      JOURNAL OF PHYSICAL CHEMISTRY B
    71. Lu, GQ; Crown, A; Wieckowski, A
      Formic acid decomposition on polycrystalline platinum and palladized platinum electrodes

      JOURNAL OF PHYSICAL CHEMISTRY B
    72. Hou, H; Rettner, CT; Auerbach, DJ; Huang, Y; Gulding, SJ; Wodtke, AM
      The interaction of highly vibrationally excited molecules with surfaces: vibrational relaxation and reaction of NO(v) at Cu(111) and O/Cu(111)

      Faraday discussions
    73. Baksht, FG; Ivanov, VG
      Characteristic features of the formation of the vibrational distribution function of H-2 molecules in a hydrogen stream

      TECHNICAL PHYSICS
    74. Genger, T; Hinrichsen, O; Muhler, M
      The temperature-programmed desorption of hydrogen from copper surfaces

      CATALYSIS LETTERS
    75. Tabatabaei, J; Sakakini, BH; Watson, MJ; Waugh, KC
      The detailed kinetics of the desorption of hydrogen from polycrystalline copper catalysts

      CATALYSIS LETTERS
    76. Tabatabaei, J; Sakakini, BH; Watson, MJ; Waugh, KC
      The detailed kinetics of the adsorption of hydrogen on polycrystalline copper studied by reactive frontal chromatography

      CATALYSIS LETTERS
    77. Guan, DR; Yi, YZ; Ding, SL; Zheng, YJ; Liu, JY
      Quantum dynamics of dissociative adsorption of H-2 on Ni(100) using the dynamical Lie algebraic method

      SCIENCE IN CHINA SERIES B-CHEMISTRY
    78. Xin, M; Hwang, IC; Kim, DH; Cho, ST; Woo, SI
      The effect of the preparation conditions of Pt/ZSM-5 upon its activity andselectivity for the reduction of nitric oxide

      APPLIED CATALYSIS B-ENVIRONMENTAL
    79. Waugh, KC
      Prediction of global reaction kinetics by solution of the Arrhenius parameterised component elementary reactions: microkinetic analysis

      CATALYSIS TODAY
    80. Chen, G; Boyd, ID
      Modeling of silicon deposition process scale-up employing axisymmetric ring nozzle sources. I

      JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS
    81. Chen, G; Boyd, ID; Engstrom, JR
      Three dimensional modeling of silicon deposition process scale-up employing supersonic jets. II

      JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS
    82. Martensson, P; Larsson, K; Carlsson, JO
      Atomic layer epitaxy of copper: an ab initio investigation of the CuCl/H-2process - II. Reaction energies

      APPLIED SURFACE SCIENCE
    83. Pallassana, V; Neurock, M; Hansen, LB; Hammer, B; Norskov, JK
      Theoretical analysis of hydrogen chemisorption on Pd(111), Re(0001) and Pd-ML/Re(0001), Re-ML/Pd(111) pseudomorphic overlayers

      PHYSICAL REVIEW B-CONDENSED MATTER
    84. Muino, RD; Salin, A
      Self-consistent screening of diatomic molecules in an electron gas

      PHYSICAL REVIEW B-CONDENSED MATTER
    85. Eichler, A; Hafner, J
      Reaction channels for the catalytic oxidation of CO on Pt(111)

      PHYSICAL REVIEW B-CONDENSED MATTER
    86. Eichler, A; Hafner, J; Gross, A; Scheffler, M
      Trends in the chemical reactivity of surfaces studied by ab initio quantum-dynamics calculations

      PHYSICAL REVIEW B-CONDENSED MATTER
    87. Hammer, B; Hansen, LB; Norskov, JK
      Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

      PHYSICAL REVIEW B-CONDENSED MATTER
    88. Miura, Y; Kasai, H; Dino, WA; Okiji, A
      Vibrational and rotational coupling effects in the direct scattering of H-2 from Cu(111)

      SURFACE SCIENCE
    89. Eichler, A; Hafner, J
      Reaction channels for the catalytic oxidation of CO on Pt(111)

      SURFACE SCIENCE
    90. Dino, WA; Kasai, H; Okiji, A
      Rotational polarization and filtering of hydrogen molecules by metal surfaces - isotope effects

      SURFACE SCIENCE
    91. Brivio, GP; Trioni, MI
      The adiabatic molecule-metal surface interaction: Theoretical approaches

      REVIEWS OF MODERN PHYSICS
    92. Miura, Y; Kasai, H; Dino, WA
      Rotational and vibrational coupling effects on the dissociative adsorptionand associative desorption dynamics of D-2/Cu(111)

      JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
    93. Kislyuk, MU
      Translationally excited molecules in adsorption, desorption, and products of heterogeneous catalytic reactions

      KINETICS AND CATALYSIS
    94. Zhang, JZH
      The semirigid vibrating rotor target model for quantum polyatomic reactiondynamics

      JOURNAL OF CHEMICAL PHYSICS
    95. Watts, E; Sitz, GO
      Surface temperature dependence of rotational excitation of H-2 scattered from Pd(111)

      JOURNAL OF CHEMICAL PHYSICS
    96. Pettus, KA; Ahmadi, TS; Lanzendorf, EJ; Kummel, AC
      Comparison of chemical selectivity and kinetic energy release in Si-(s)+ICl(g) and H-(g)+ICl(g)

      JOURNAL OF CHEMICAL PHYSICS
    97. McCormack, DA; Kroes, GJ; Olsen, RA; Baerends, EJ; Mowrey, RC
      Rotational effects in six-dimensional quantum dynamics for reaction of H-2on Cu(100)

      JOURNAL OF CHEMICAL PHYSICS
    98. Dai, JQ; Light, JC
      Quantum dynamics of an Eley-Rideal gas-surface reaction: Four dimensional planar model for H(D)(gas)+D(H)-Cu(111)

      JOURNAL OF CHEMICAL PHYSICS
    99. Roadman, SE; Levine, SW; Zheng, YJ; Clancy, P; Engstrom, JR
      Pattern formation and shadow instability in collimated energetic molecularbeam growth of silicon

      APPLIED PHYSICS LETTERS
    100. Casarin, M; Maccato, C; Vittadini, A
      Molecular chemisorption on TiO2(110): A local point of view

      JOURNAL OF PHYSICAL CHEMISTRY B


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Documento generato il 30/10/20 alle ore 10:42:22