Catalogo Articoli (Spogli Riviste)

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    1. Fernandes, PA; Cordeiro, MNDS; Gomes, JANF
      Molecular simulation of the interface between two immiscible electrolyte solutions

      JOURNAL OF PHYSICAL CHEMISTRY B
    2. Gomes, JRB; Gomes, JANF; Illas, F
      First-principles study of the adsorption of formaldehyde on the clean and atomic oxygen covered Cu(111) surface

      JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
    3. Cordeiro, MNDS; Dias, AA; Costa, ML; Gomes, JANF
      A theoretical study of the gas-phase pyrolysis of 2-azidoacetic acid

      JOURNAL OF PHYSICAL CHEMISTRY A
    4. Henriques, ES; Floriano, WB; Reuter, N; Melo, A; Brown, D; Gomes, JANF; Maigret, B; Nascimento, MAC; Ramos, MJ
      The search for a new model structure of beta-Factor XIIa

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    5. Bernardo, CGPM; Gomes, JANF
      The adsorption of ethylene on the (100) surfaces of platinum, palladium and nickel: a DFT study

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    6. Gomes, JRB; Gomes, JANF
      A DFT study of the methanol oxidation catalyzed by a copper surface

      SURFACE SCIENCE
    7. Gomes, JANF; Mallion, RB
      Aromaticity and ring currents

      CHEMICAL REVIEWS
    8. Gomes, JRB; Gomes, JANF
      Adsorption of the formyl species on transition metal surfaces

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    9. Fernandes, PA; Cordeiro, MNDS; Gomes, JANF
      Influence of ion size and charge in ion transfer processes across a liquidvertical bar liquid interface

      JOURNAL OF PHYSICAL CHEMISTRY B
    10. Magalhaes, AL; Maigret, B; Gomes, JANF; Ramos, MJ
      Hybrid QM/MM study of a fundamental biological interaction surrounded by its protein environment

      INTERNET JOURNAL OF CHEMISTRY
    11. Gomes, JRB; Gomes, JANF
      Comparative study of geometry and bonding character for methoxy radical adsorption on noble metals

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    12. Carvalho, AP; Gomes, JANF; Cordeiro, MNDS
      Parallel implementation of a Monte Carlo molecular simulation program

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    13. Gomes, JRB; Gomes, JANF
      A theoretical study of dioxymethylene, proposed as intermediate in the oxidation of formaldehyde to formate over copper

      SURFACE SCIENCE
    14. Fernandes, PA; Cordeiro, MNDS; Gomes, JANF
      Molecular dynamics simulation of liquid 2-heptanone, pure and saturated with water

      JOURNAL OF PHYSICAL CHEMISTRY B
    15. Fernandes, PA; Cordeiro, MNDS; Gomes, JANF
      Molecular dynamics study of the transfer of iodide across two liquid/liquid interfaces

      JOURNAL OF PHYSICAL CHEMISTRY B
    16. Fernandes, PA; Cordeiro, MNDS; Gomes, JANF
      Molecular dynamics simulation of the water/2-heptanone liquid-liquid interface

      JOURNAL OF PHYSICAL CHEMISTRY B
    17. Carvalho, AP; Cordeiro, MNDS; Gomes, JANF
      Influence of interionic separation in electron transfer reactions

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    18. Ignaczak, A; Gomes, JANF
      Simulations of liquid water in contact with a Cu(100) surface

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    19. Melo, A; Ramos, MJ; Floriano, WB; Gomes, JANF; Leao, JFR; Magalhaes, AL; Maigret, B; Nascimento, MC; Reuter, N
      Theoretical study of arginine-carboxylate interactions

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    20. Gomes, JANF; Ignaczak, A
      A theoretical approach to the adsorption of ions on metal surfaces

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    21. Fernandes, PA; Cordeiro, MNDS; Gomes, JANF
      Molecular dynamics simulation of the water/1,2-dichloroethane interface

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    22. Gomes, JRB; Gomes, JANF
      Cluster model study of methoxy radical adsorption on the Cu (111) surface

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    23. Gomes, JRB; Gomes, JANF; Illas, F
      Methoxy radical reaction to formaldehyde on clean and hydroxy radical-covered copper(111) surfaces: a density functional theory study

      SURFACE SCIENCE
    24. Gomes, JRB; Gomes, JANF
      Adsorption of the formate species on copper surfaces: a DFT study

      SURFACE SCIENCE
    25. Ramos, MJ; Melo, A; Henriques, ES; Gomes, JANF; Reuter, N; Maigret, B; Floriano, WB; Nascimento, MAC
      Modeling enzyme-inhibitor interactions in serine proteases

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    26. Gomes, JRB; Gomes, JANF
      A DFT study of dioxymethylene adsorption on the copper (111) surface

      ELECTROCHIMICA ACTA
    27. Ignaczak, A; Gomes, JANF; Cordeiro, MNDS
      Quantum and simulation studies of X-(H2O)(n) systems

      ELECTROCHIMICA ACTA
    28. IGNACZAK A; GOMES JANF; ROMANOWSKI S
      THE POTENTIAL OF MEAN FORCE ON HALIDE-IONS NEAR THE CU(100) SURFACE

      Journal of electroanalytical chemistry [1992]
    29. IGNACZAK A; GOMES JANF
      QUANTUM CALCULATIONS ON THE ADSORPTION OF HALIDE-IONS ON THE NOBLE-METALS

      Journal of electroanalytical chemistry [1992]
    30. IGNACZAK A; GOMES JANF
      A THEORETICAL-STUDY OF THE INTERACTION OF WATER-MOLECULES WITH THE CU(100), AG(100) AND AU(100) SURFACES

      Journal of electroanalytical chemistry [1992]
    31. MAGALHES AL; GOMES JANF
      DENSITY-FUNCTIONAL METHODS FOR THE STUDY OF THE GROUND-STATE VIBRATIONS OF THE GUANIDINIUM ION

      International journal of quantum chemistry
    32. CARVALHO AJP; CORDEIRO MNDS; GOMES JANF
      SIMULATION OF THE ELECTRON-TRANSFER PROCESS CU2-ARROW-CU++CU2+ IN AQUEOUS-SOLUTION(+CU+REVERSIBLE)

      Journal of molecular structure. Theochem
    33. IGNACZAK A; GOMES JANF
      INTERACTION OF HALIDE-IONS WITH COPPER - THE DFT APPROACH

      Chemical physics letters
    34. ROMANOWSKI SJ; GOMES JANF
      MONTE-CARLO STUDIES OF THE CHEMISORPTION AND WORK FUNCTION-TEMPERATURE EFFECTS ON NOBLE-METALS

      Journal of electroanalytical chemistry [1992]
    35. RAMALHO JPP; CORDEIRO MNDS; GOMES JANF
      LIGHT-METAL IONS IN WATER - QUANTAL AND CLASSICAL SIMULATIONS FOR LI7+

      Journal of molecular liquids
    36. GOMES JANF
      FONSECA,TERESA, EARLY YEARS

      Journal of molecular liquids
    37. CORDEIRO MNDS; IGNACZAK A; GOMES JANF
      SIMULATION OF WATER SOLUTIONS OF NI2+ AT INFINITE DILUTION

      Chemical physics
    38. NATALIA M; CORDEIRO DS; GOMES JANF
      ABINITIO COPPER WATER INTERACTION POTENTIAL FOR THE SIMULATION OF AQUEOUS-SOLUTIONS

      Journal of computational chemistry
    39. MELO A; GOMES JANF
      THEORETICAL-STUDY OF IONIZATION-POTENTIALS IN MONOSUBSTITUTED BENZENES

      International journal of quantum chemistry
    40. DECASTRO BRM; GOMES JANF; MALLION RB
      CALCULATED LONDON PI-ELECTRON MAGNETIC-PROPERTIES OF SOME CARBON-ATOMFRAGMENTS EXTANT ON THE SURFACE OF ICOSAHEDRAL C-60 (BUCKMINSTERFULLERENE)

      Croatica chemica acta


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 07/08/20 alle ore 20:25:17