Catalogo Articoli (Spogli Riviste)

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    1. Pasquarello, A; Hybertsen, MS; Car, R
      Atomic dynamics during silicon oxidation

      FUNDAMENTAL ASPECTS OF SILICON OXIDATION
    2. Massobrio, C; Pasquarello, A; Car, R
      Short- and intermediate-range structure of liquid GeSe2 - art. no. 144205

      PHYSICAL REVIEW B
    3. Simon, L; Stoffel, M; Sonnet, P; Kubler, L; Stauffer, L; Selloni, A; De Vita, A; Car, R; Pirri, C; Garreau, G; Aubel, D; Bischoff, JL
      Atomic structure of carbon-induced Si(001)c(4X4) reconstruction as a Si-Sihomodimer and C-Si heterodimer network - art. no. 035306

      PHYSICAL REVIEW B
    4. Pasquarello, A; Petri, I; Salmon, PS; Parisel, O; Car, R; Toth, E; Powell, DH; Fischer, HE; Heim, L; Merbach, AE
      First solvation shell of the Cu(II) aqua ion: Evidence for fivefold coordination

      SCIENCE
    5. Hetenyi, B; De Angelis, F; Giannozzi, P; Car, R
      Reconstruction of frozen-core all-electron orbitals from pseudo-orbitals

      JOURNAL OF CHEMICAL PHYSICS
    6. Massobrio, C; Pasquarello, A; Car, R
      Concentration fluctuations on intermediate range distances in liquid GeSe2: the critical role of ionicity

      COMPUTATIONAL MATERIALS SCIENCE
    7. Sonnet, P; Stauffer, L; Selloni, A; De Vita, A; Car, R; Simon, L; Stoffel, M; Kubler, L
      Energetics of surface and subsurface carbon incorporation in Si(100)

      PHYSICAL REVIEW B
    8. Rignanese, GM; De Vita, A; Charlier, JC; Gonze, X; Car, R
      First-principles molecular-dynamics study of the (0001) alpha-quartz surface

      PHYSICAL REVIEW B
    9. Stirling, A; Pasquarello, A; Charlier, JC; Car, R
      Dangling bond defects at Si-SiO2 interfaces: Atomic structure of the P-b1 center

      PHYSICAL REVIEW LETTERS
    10. Morgenstern, K; Laegsgaard, E; Stensgaard, I; Besenbacher, F; Bohringer, M; Schneider, WD; Berndt, R; Mauri, F; De Vita, A; Car, R
      Stability of two-dimensional nanostructures

      APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
    11. Charlier, JC; Blase, X; De Vita, A; Car, R
      Microscopic growth mechanisms for carbon and boron-nitride nanotubes

      APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
    12. De Vita, A; Charlier, JC; Blase, X; Car, R
      Electronic structure at carbon nanotube tips

      APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
    13. Blase, X; Charlier, JC; De Vita, A; Car, R
      Structural and electronic properties of composite BxCyNz nanotubes and heterojunctions

      APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
    14. Blase, X; Charlier, JC; De Vita, A; Car, R; Redlich, P; Terrones, M; Hsu, WK; Terrones, H; Carroll, DL; Ajayan, PM
      Boron-mediated growth of long helicity-selected carbon nanotubes

      PHYSICAL REVIEW LETTERS
    15. Bohringer, M; Morgenstern, K; Schneider, WD; Berndt, R; Mauri, F; De Vita, A; Car, R
      Two-dimensional self-assembly of supramolecular clusters and chains

      PHYSICAL REVIEW LETTERS
    16. Musolino, V; Selloni, A; Car, R
      Structure and dynamics of small metallic clusters on an insulating metal-oxide surface: Copper on MgO(100)

      PHYSICAL REVIEW LETTERS
    17. Gregor, T; Mauri, F; Car, R
      A comparison of methods for the calculation of NMR chemical shifts

      JOURNAL OF CHEMICAL PHYSICS
    18. Massobrio, C; Pasquarello, A; Car, R
      Intermediate range order and bonding character in disordered network-forming systems

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    19. JIMENEZ S; PASQUARELLO A; CAR R; CHERGUI M
      DYNAMICS OF STRUCTURAL RELAXATION UPON RYDBERG EXCITATION OF AN IMPURITY IN AN AR CRYSTAL

      Chemical physics
    20. LEWIS LJ; DEVITA A; CAR R
      STRUCTURE AND ELECTRONIC-PROPERTIES OF AMORPHOUS INDIUM-PHOSPHIDE FROM FIRST PRINCIPLES

      Physical review. B, Condensed matter
    21. PASQUARELLO A; SARNTHEIN J; CAR R
      DYNAMIC STRUCTURE FACTOR OF VITREOUS SILICA FROM FIRST PRINCIPLES - COMPARISON TO NEUTRON-INELASTIC-SCATTERING EXPERIMENTS

      Physical review. B, Condensed matter
    22. Haye, MJ; Massobrio, C; Pasquarello, A; De Vita, A; De Leeuw, SW; Car, R
      Structure of liquid GexSe1-x at the stiffness threshold composition

      PHYSICAL REVIEW B-CONDENSED MATTER
    23. MUSOLINO V; SELLONI A; CAR R
      ATOMIC AND ELECTRONIC-STRUCTURE OF CU CLUSTERS ON MGO

      Surface science
    24. BLASE X; DEVITA A; CHARLIER JC; CAR R
      FRUSTRATION EFFECTS AND MICROSCOPIC GROWTH MECHANISMS FOR BN NANOTUBES

      Physical review letters
    25. PASQUARELLO A; CAR R
      IDENTIFICATION OF RAMAN DEFECT LINES AS SIGNATURES OF RING STRUCTURESIN VITREOUS SILICA

      Physical review letters
    26. ODA T; PASQUARELLO A; CAR R
      FULLY UNCONSTRAINED APPROACH TO NONCOLLINEAR MAGNETISM - APPLICATION TO SMALL FE CLUSTERS

      Physical review letters
    27. MASSOBRIO C; PASQUARELLO A; CAR R
      MICROSCOPIC STRUCTURE OF LIQUID GESE2 - THE PROBLEM OF CONCENTRATION FLUCTUATIONS OVER INTERMEDIATE RANGE DISTANCES

      Physical review letters
    28. PASQUARELLO A; HYBERTSEN MS; CAR R
      INTERFACE STRUCTURE BETWEEN SILICON AND ITS OXIDE BY FIRST-PRINCIPLESMOLECULAR-DYNAMICS

      Nature
    29. PALMA A; PASQUARELLO A; CICCOTTI G; CAR R
      CU-INITIO MOLECULAR-DYNAMICS(+ AND LI+ INTERACTION WITH POLYETHYLENE OXIDE BY AB)

      The Journal of chemical physics
    30. MUSOLINO V; SELLONI A; CAR R
      FIRST PRINCIPLES STUDY OF ADSORBED CU-N (N=1-4) MICROCLUSTERS ON MGO(100) - STRUCTURAL AND ELECTRONIC-PROPERTIES

      The Journal of chemical physics
    31. SARNTHEIN J; PASQUARELLO A; CAR R
      ORIGIN OF THE HIGH-FREQUENCY DOUBLET IN THE VIBRATIONAL-SPECTRUM OF VITREOUS SIO2

      Science
    32. CHARLIER JC; DEVITA A; BLASE X; CAR R
      MICROSCOPIC GROWTH MECHANISMS FOR CARBON NANOTUBES

      Science
    33. PASQUARELLO A; CAR R
      DYNAMICAL CHARGE TENSORS AND INFRARED-SPECTRUM OF AMORPHOUS SIO2

      Physical review letters
    34. RIGNANESE GM; PASQUARELLO A; CHARLIER JC; GONZE X; CAR R
      NITROGEN INCORPORATION AT SI(001)-SIO2 INTERFACES - RELATION BETWEEN N 1S CORE-LEVEL SHIFTS AND MICROSCOPIC STRUCTURE

      Physical review letters
    35. BOERO M; PASQUARELLO A; SARNTHEIN J; CAR R
      STRUCTURE AND HYPERFINE PARAMETERS OF E'(1) CENTERS IN A-QUARTZ AND IN VITREOUS SIO2

      Physical review letters
    36. CARROLL DL; REDLICH P; AJAYAN PM; CHARLIER JC; BLASE X; DEVITA A; CAR R
      ELECTRONIC-STRUCTURE AND LOCALIZED STATES AT CARBON NANOTUBE TIPS

      Physical review letters
    37. CAR R
      CRYSTAL-STRUCTURE - HOW HARD-SPHERES STACK UP

      Nature
    38. BLASE X; CHARLIER JC; DEVITA A; CAR R
      THEORY OF COMPOSITE BXCYNZ NANOTUBE HETEROJUNCTIONS

      Applied physics letters
    39. PASQUARELLO A; HYBERTSEN MS; CAR R
      FIRST-PRINCIPLES STUDY OF SI 2P CORE-LEVEL SHIFTS AT WATER AND HYDROGEN COVERED SI(001)2X1 SURFACES

      Journal of vacuum science & technology. B, Microelectronics and nanometer structures processing, measurement and phenomena
    40. PASQUARELLO A; HYBERTSEN MS; CAR R
      SI 2P CORE-LEVEL SHIFTS IN SMALL MOLECULES - A FIRST PRINCIPLES STUDY

      Physica scripta. T
    41. MASSOBRIO C; PASQUARELLO A; CAR R
      FIRST-PRINCIPLES STUDIES OF CU CLUSTERS

      Surface review and letters
    42. DEVITA A; GALLI G; CANNING A; CAR R
      GRAPHITIZATION OF DIAMOND(111) STUDIED BY FIRST PRINCIPLES MOLECULAR-DYNAMICS

      Applied surface science
    43. PASQUARELLO A; HYBERTSEN MS; CAR R
      COMPARISON OF STRUCTURALLY RELAXED MODELS OF THE SI(001)-SIO2 INTERFACE BASED ON DIFFERENT CRYSTALLINE OXIDE FORMS

      Applied surface science
    44. PASQUARELLO A; HYBERTSEN MS; CAR R
      SPHEROSILOXANE H8SI8O12 CLUSTERS ON SI(001) - FIRST-PRINCIPLES CALCULATION OF SI 2P CORE-LEVEL SHIFTS

      Physical review. B, Condensed matter
    45. MASSOBRIO C; PASQUARELLO A; CAR R
      INTERPRETATION OF PHOTOELECTRON-SPECTRA IN CU-N(-) CLUSTERS INCLUDINGTHERMAL AND FINAL-STATE EFFECTS - THE CASE OF CU-7(-)

      Physical review. B, Condensed matter
    46. DALCORSO A; PASQUARELLO A; BALDERESCHI A; CAR R
      GENERALIZED-GRADIENT APPROXIMATIONS TO DENSITY-FUNCTIONAL THEORY - A COMPARATIVE-STUDY FOR ATOMS AND SOLIDS

      Physical review. B, Condensed matter
    47. PASQUARELLO A; HYBERTSEN MS; CAR R
      THEORY OF SI 2P CORE-LEVEL SHIFTS AT THE SI(001)-SIO2 INTERFACE

      Physical review. B, Condensed matter
    48. SMARGIASSI E; CAR R
      FIRST-PRINCIPLES FREE-ENERGY CALCULATIONS ON CONDENSED-MATTER SYSTEMS- LATTICE VACANCY IN SILICON

      Physical review. B, Condensed matter
    49. SMARGIASSI E; CAR R
      DYNAMICAL EFFECTS AND VACANCY MOTION IN SILICON AT HIGH-TEMPERATURE

      International journal of modern physics C
    50. DEVITA A; GALLI G; CANNING A; CAR R
      A MICROSCOPIC MODEL FOR SURFACE-INDUCED DIAMOND-TO-GRAPHITE TRANSITIONS

      Nature
    51. CANNING A; GALLI G; MAURI F; DEVITA A; CAR R
      O(N) TIGHT-BINDING MOLECULAR-DYNAMICS ON MASSIVELY-PARALLEL COMPUTERS- AN ORBITAL DECOMPOSITION APPROACH

      Computer physics communications
    52. PASQUARELLO A; HYBERTSEN MS; CAR R
      STRUCTURALLY RELAXED MODELS OF THE SI(001)-SIO2 INTERFACE

      Applied physics letters
    53. SARNTHEIN J; PASQUARELLO A; CAR R
      MODEL OF VITREOUS SIO2 GENERATED BY AN AB-INITIO MOLECULAR-DYNAMICS QUENCH FROM THE MELT

      Physical review. B, Condensed matter
    54. MAURI F; CAR R
      FIRST-PRINCIPLES STUDY OF EXCITONIC SELF-TRAPPING IN DIAMOND

      Physical review letters
    55. MASSOBRIO C; PASQUARELLO A; CAR R
      FIRST PRINCIPLES STUDY OF PHOTOELECTRON-SPECTRA OF CU-N(-) CLUSTERS

      Physical review letters
    56. PASQUARELLO A; HYBERTSEN MS; CAR R
      SI 2P CORE-LEVEL SHIFTS AT THE SI(001) SIO2 INTERFACE - A FIRST-PRINCIPLES STUDY

      Physical review letters
    57. SARNTHEIN J; PASQUARELLO A; CAR R
      STRUCTURAL AND ELECTRONIC-PROPERTIES OF LIQUID AND AMORPHOUS SIO2 - AN AB-INITIO MOLECULAR-DYNAMICS STUDY

      Physical review letters
    58. SUGINO O; CAR R
      AB-INITIO MOLECULAR-DYNAMICS STUDY OF FIRST-ORDER PHASE-TRANSITIONS -MELTING OF SILICON

      Physical review letters
    59. MASSOBRIO C; PASQUARELLO A; CAR R
      STRUCTURAL AND ELECTRONIC-PROPERTIES OF SMALL COPPER CLUSTERS - A FIRST PRINCIPLES STUDY

      Chemical physics letters
    60. BROCKS G; KELLY PJ; CAR R
      ALUMINUM ON SI(100) - GROWTH AND STRUCTURE OF THE 1ST LAYER

      Journal of vacuum science & technology. B, Microelectronics and nanometer structures processing, measurement and phenomena
    61. GRUMBACH MP; HOHL D; MARTIN RM; CAR R
      AB-INITIO MOLECULAR-DYNAMICS WITH A FINITE-TEMPERATURE DENSITY-FUNCTIONAL

      Journal of physics. Condensed matter
    62. ANCILOTTO F; SELLONI A; CAR R
      LOW-TEMPERATURE AND HIGH-TEMPERATURE PHASES OF A PB MONOLAYER ON GE(111) FROM AB-INITIO MOLECULAR-DYNAMICS

      Physical review. B, Condensed matter
    63. TASSONE F; MAURI F; CAR R
      ACCELERATION SCHEMES FOR AB-INITIO MOLECULAR-DYNAMICS SIMULATIONS ANDELECTRONIC-STRUCTURE CALCULATIONS

      Physical review. B, Condensed matter
    64. TASSONE F; MAURI F; CAR R
      ACCELERATION SCHEMES FOR AB-INITIO MOLECULAR-DYNAMICS SIMULATIONS ANDELECTRONIC-STRUCTURE CALCULATIONS

      Physical review. B, Condensed matter
    65. LEE C; BARKEMA GT; BREEMAN M; PASQUARELLO A; CAR R
      DIFFUSION MECHANISM OF CU ADATOMS ON A CU(001) SURFACE

      Surface science
    66. GILGIEN L; GALLI G; GYGI F; CAR R
      AB-INITIO STUDY OF POSITRON TRAPPING AT A VACANCY IN GAAS

      Physical review letters
    67. BROCKS G; KELLY PJ; CAR R
      STRUCTURE AND PROPERTIES OF POLYMERS CALCULATED BY AB-INITIO MOLECULAR-DYNAMICS

      Synthetic metals
    68. MAURI F; CAR R; TOSATTI E
      CANONICAL STATISTICAL AVERAGES OF COUPLED QUANTUM-CLASSICAL SYSTEMS

      Europhysics letters
    69. LAASONEN K; PASQUARELLO A; CAR R; LEE C; VANDERBLIT D
      CAR-PARRINELLO MOLECULAR-DYNAMICS WITH VANDERBILT ULTRASOFT PSEUDOPOTENTIALS

      Physical review. B, Condensed matter
    70. MAURI F; GALLI G; CAR R
      ORBITAL FORMULATION FOR ELECTRONIC-STRUCTURE CALCULATIONS WITH LINEARSYSTEM-SIZE SCALING

      Physical review. B, Condensed matter
    71. SILVESTRELLI PL; BARONI S; CAR R
      AUXILIARY-FIELD QUANTUM MONTE-CARLO CALCULATIONS FOR SYSTEMS WITH LONG-RANGE REPULSIVE INTERACTIONS

      Physical review letters
    72. ANCILOTTO F; SELLONI A; CAR R
      BETA-PHASE OF PB ON GE(111) - THE COMPETING ROLES OF ELECTRONIC BONDING AND THERMAL FLUCTUATIONS

      Physical review letters
    73. BROCKS G; KELLY PJ; CAR R
      ADSORPTION OF AL ON SI(100) - A SURFACE POLYMERIZATION REACTION

      Physical review letters
    74. LAASONEN K; SPRIK M; PARRINELLO M; CAR R
      AB-INITIO LIQUID WATER

      The Journal of chemical physics
    75. GALLI G; SELLONI A; CAR R
      1ST-PRINCIPLES MOLECULAR-DYNAMICS - A TOOL FOR MICROSCOPIC MODELING OF MATERIALS

      Chimia
    76. LAASONEN K; PARRINELLO M; CAR R; LEE CY; VANDERBILT D
      STRUCTURES OF SMALL WATER CLUSTERS USING GRADIENT-CORRECTED DENSITY-FUNCTIONAL THEORY

      Chemical physics letters
    77. KELLY PJ; CAR R
      GREENS-MATRIX CALCULATION OF TOTAL ENERGIES OF POINT-DEFECTS IN SILICON

      Physical review. B, Condensed matter


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 12/08/20 alle ore 01:09:35