José Ferreira Gomes

Apresentação

Artigos Científicos

Ensino Superior

Outros Documentos

Revista de Ciência Elementar

jfgomes@fc.up.pt

+351 220402507

Faculdade de Ciências
Universidade do Porto
Rua do Campo Alegre, 687
P 4169-007 PORTO
Portugal

Artigos Wikiciências

  1. Strutynski, K.;Melle-Franco,M.;J.A.N.F. Gomes, New Parameterization Scheme of DFT-D for Graphitic Materials. Journal of Physical Chemistry A, 2013, 117(13), pp 2844-2853.
  2. Lipinska, M. E.; Rebelo, S. L. H.; Pereira, M. F. R.; et al., New insights into the functionalization of multi-walled carbon nanotubes with aniline derivatives. CARBON, Vol. 50, (9), 3280-3294, (2012)
  3. Dickens, Timothy K.; Gomes, Jose A. N. F.; Mallion, Roger B., Some Comments on Topological Approaches to the pi-Electron Currents in Conjugated Systems. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Vol. 7, (11), 3661-3674, (2011)
  4. Vieira, Elizabeth S.; Gomes, Jose A. N. F., An impact indicator for researchers SCIENTOMETRICS Vol. 89, (2), 607-629, (2011)
  5. Vieira, Elizabeth S.; Gomes, Jose A. N. F. The journal relative impact: an indicator for journal assessment. SCIENTOMETRICS Vol. 89, (2), 631-651, (2011)
  6. Hoefinger, Siegfried; Melle-Franco, Manuel; Gallo, Tommaso; et al., A computational analysis of the insertion of carbon nanotubes into cellular membranes. BIOMATERIALS Vol. 32, (29) 7079-7085, (2011)
  7. Vieira, E. S.; Gomes, J. A. N. F., A research impact indicator for institutions. JOURNAL OF INFORMETRICS Vol. 4, (4), 581-590, (2010)
  8. Szefczyk, Borys; Franco, Ricardo; Gomes, Jose A. N. F.; et al. Structure of the interface between water and self-assembled monolayers of neutral, anionic and cationic alkane thiols, Conference: 9th National Meeting of Physical Chemistry Location: Univ Aveiro, Aveiro, PORTUGAL Date: JUN 15-16, 2009 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM Vol. 946, (1-3), 83-87, (2010)
  9. Vieira, E. S.; Gomes, J. A. N. F., Citations to scientific articles: Its distribution and dependence on the article features. JOURNAL OF INFORMETRICS, Vol. 4(1), 1-13, 2010
  10. Sérgio F. Sousa, Emanuela S. Carvalho, Diana M. Ferreira, Isabel S. Tavares, Pedro A. Fernandes, Maria João Ramos, José A. N. F. Gomes, Comparative Analysis of the Performance of Commonly Available Density Functionals in the Determination of Geometrical Parameters for Zinc Complexes. JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.30 (16),2752 (2009).
  11. Vieira E.S.; Gomes J.A.N.F., A comparison of Scopus and Web of Science for a typical university., Scientometrics, Vol:81(2), 587-600, Nov.2009, on-line since December 2008.
  12. Szefczyk B, Cordeiro MNDS, Franco R, Gomes JANF , Molecular dynamics simulations of mouse ferrochelatase variants: what distorts and orientates the porphyrin? JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 2009, Vol: 14, (7), P: 1119-1128.
  13. Santos HRR, Ramos MJ, Gomes JANF , Microscopic detail provided for the adsorption of protected amino-cyclopentene on Si(100). CHEMICAL PHYSICS LETTERS, 2007, Vol: 448, (1-3), P: 111-114.
  14. Cordeiro MNDS, Pinto ASS, Gomes JANF, A DFT study of the chemisorption of methoxy on clean and low oxygen precovered Ru(0001) surfaces. SURFACE SCIENCE, 2007, Vol:601, (12), P: 2473-2485.
  15. Santos HRR, Ujaque G, Ramos MJ, Gomes JANF, Effect of the tert-butiloxycarbonyl protecting group on the adsorption of protected amino-cyclopentene on the Si(100) surface. PHYSICAL REVIEW B, 2007, 75, (12).
  16. Suwattanamala A, Magalhaes AL, Gomes JANF , Theoretical study on the structure and conformational features of distally dibromo-dipropoxythiacalix[4]arene derivatives and their Zn2+ complexes. THEORETICAL CHEMISTRY ACCOUNTS, 2007, Vol: 117, (3), pp.431-440.
  17. Santos HRR, Ujaque G, Ramos MJ, Gomes JANF, QM/QM study of the coverage effects on the adsorption of amino-cyclopentene at the Si(100) surface. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2006, Vol.27,(15), p.1892-1897.
  18. dos Santos DJVA, Gomes JANF, Chain length effect on the structure of alkyltrimethylammonium chloride monolayers between two immiscible liquids. 16th Annual Meeting of the European-Colloid-and-Interface-Society, SEP, 2002 Paris, FRANCE, TRENDS IN COLLOID AND INTERFACE SCIENCE XVII, PROGRESS IN COLLOID AND POLYMER SCIENCE, Volume: 126, p. 68-73, (2004).
  19. Suwattanamala, A.; Appelhans, D.; Wenzel, M.; Gloe, K.; Magalhaes, A. L.; Gomes, JANF, Comparative study on the transition metal complexes of a novel thiacalix[4]arene derivative. Chemical Physics 2006, (2-3), 193-206.
  20. Suwattanamala, A.; Magalhaes, A. L.; Gomes, JANF, Comparative density functional theory study on thiacalix[4]arene binding modes for Zn2+ and Cu2+. Journal Of Physical Chemistry A 2005, (47), 10742-10752.
  21. Santos, H. R. R.; Ramos, M. J.; Gomes, JANF, A new strategy to model the Si(100) surface. Comptes Rendus Chimie 2005, (9-10), 1461-1468.
  22. Suwattanamala, A.; Magalhaes, A. L.; Gomes, JANF, Comparative study of novel sulfonylcalix[4]arene derivative compounds. Journal Of Molecular Structure-Theochem 2005, (1-2), 83-90.
  23. Santos, H. R. R.; Ramos, M. J.; Gomes, JANF, Adsorption of protected and unprotected amino-cyclopentene at the Si(100) surface modeled with a hybrid quantum mechanical cluster technique. Physical Review B 2005, (7)
  24. Suwattanamala, A.; Magalhaes, A. L.; Gomes, JANF, Computational study of calix[4]arene derivatives and complexation with Zn2+. Chemical Physics 2005, (1-3), 109-122.
  25. dos Santos, D.; Gomes, JANF, Structure and properties of hexadecyltrimethylammonium chloride monolayers in contact with oil films with different thicknesses. Journal Of Physical Chemistry B 2004, (44), 17153-17159.
  26. Pinto, A. S. S.; de Barros, R. B.; Cordeiro, M.; Gomes, JANF; Garcia, A. R.; Ilharco, L. M., Fermi resonance coupling in the C-H stretching region of methoxide adsorbed on clean Ru(001): a combined RAIRS and theoretical study. Surface Science 2004, 965-970.
  27. Suwattanamala, A.; Magalhaes, A. L.; Gomes, JANF, Structure and conformational equilibrium of new thiacalix[4]arene derivatives. Chemical Physics Letters 2004, (5-6), 368-373.
  28. Bernardo, C.; Gomes, JANF, Cluster model DFT study of acetylene adsorption on the Cu (100) surface. Journal Of Molecular Structure-Theochem 2003, 251-261.
  29. dos Santos, D.; Gomes, JANF, Molecular dynamics study of a hexadecyltrimethylammonium chloride monolayer at the interface between two immiscible liquids. Langmuir 2003, (3), 958-966.
  30. dos Santos, D.; Gomes, JANF, Molecular dynamics study of the calcium ion transfer across the water/nitrobenzene interface. Chemphyschem 2002, (11), 946-951.
  31. Bernardo, C.; Gomes, JANF, The adsorption of ethylene on the (110) surfaces of copper, silver and platinum: a DFT study. Journal Of Molecular Structure-Theochem 2002, 159-169.
  32. Bernardo, C.; Gomes, JANF, The adsorption of ethylene on the (100) surfaces of platinum, palladium and nickel: a DFT study. Journal Of Molecular Structure-Theochem 2001, 263-271.
  33. Gomes, JANF R. B.; 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 2001, (1-2), 187-193.
  34. Gomes, JANF; Mallion, R. B., Aromaticity and ring currents. Chemical Reviews 2001, (5), 1349-1383.
  35. Cordeiro, M.; Dias, A. A.; Costa, M. L.; Gomes, JANF, A theoretical study of the gas-phase pyrolysis of 2-azidoacetic acid. Journal Of Physical Chemistry A 2001, (13), 3140-3147.
  36. Henriques, E. S.; Floriano, W. B.; Reuter, N.; Melo, A.; Brown, D.; Gomes, JANF; Maigret, B.; Nascimento, M. A. C.; Ramos, M. J., The search for a new model structure of beta-Factor XIIa. Journal Of Computer-Aided Molecular Design 2001, (4), 309-322.
  37. Fernandes, P. A.; Cordeiro, M.; Gomes, JANF, Molecular simulation of the interface between two immiscible electrolyte solutions. Journal Of Physical Chemistry B 2001, (5), 981-993.
  38. Gomes, JANF; Fernandes, P. A.; Natalia, M.; Cordeiro, D. S., Simulation of liquid/liquid interfaces and ion transfer. Abstracts Of Papers Of The American Chemical Society 2000, U232-U232.
  39. Gomes, JANF R. B.; Gomes, JANF, A DFT study of the methanol oxidation catalyzed by a copper surface. Surface Science 2001, (1-3), 59-70.
  40. Gomes, JANF R. B.; Gomes, JANF, Adsorption of the formyl species on transition metal surfaces. Journal Of Electroanalytical Chemistry 2000, (1-2), 180-187.
  41. Gomes, JANF R. B.; Gomes, JANF, Comparative study of geometry and bonding character for methoxy radical adsorption on noble metals. Journal Of Molecular Structure-Theochem 2000, (3), 189-200.
  42. Magalhaes, A. L.; Maigret, B.; Gomes, JANF; Ramos, M. J., Hybrid QM/MM study of a fundamental biological interaction surrounded by its protein environment. Internet Journal Of Chemistry 2000, (9-11), art. no.-11.
  43. Carvalho, A. P.; Gomes, JANF; Cordeiro, M., Parallel implementation of a Monte Carlo molecular simulation program. Journal Of Chemical Information And Computer Sciences 2000, (3), 588-592.
  44. Fernandes, P. A.; Cordeiro, M.; Gomes, JANF, Influence of ion size and charge in ion transfer processes across a liquid vertical bar liquid interface. Journal Of Physical Chemistry B 2000, (10), 2278-2286.
  45. Gomes, JANF R. B.; Gomes, JANF, A theoretical study of dioxymethylene, proposed as intermediate in the oxidation of formaldehyde to formate over copper. Surface Science 2000, (3), 283-293.
  46. Gomes, JANF R. B.; 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 1999, (3), 165-176.
  47. Gomes, JANF R. B.; Gomes, JANF, A DFT study of dioxymethylene adsorption on the copper (111) surface. Electrochimica Acta 1999, (4-5), 653-658.
  48. Ignaczak, A.; Gomes, JANF; Cordeiro, M., Quantum and simulation studies of X-(H2O)(n) systems. Electrochimica Acta 1999, (4-5), 659-673.
  49. Fernandes, P. A.; Cordeiro, M.; Gomes, JANF, Molecular dynamics study of the transfer of iodide across two liquid/liquid interfaces. Journal Of Physical Chemistry B 1999, (42), 8930-8939.
  50. Carvalho, A. P.; Cordeiro, M.; Gomes, JANF, Influence of interionic separation in electron transfer reactions. Journal Of Molecular Structure-Theochem 1999, 169-178.
  51. Fernandes, P. A.; Cordeiro, M.; Gomes, JANF, Molecular dynamics simulation of the water/2-heptanone liquid-liquid interface. Journal Of Physical Chemistry B 1999, (30), 6290-6299.
  52. Gomes, JANF R. B.; Gomes, JANF, Adsorption of the formate species on copper surfaces: a DFT study. Surface Science 1999, (3), 279-290.
  53. Ramos, M. J.; Melo, A.; Henriques, E. S.; Gomes, JANF; Reuter, N.; Maigret, B.; Floriano, W. B.; Nascimento, M. A. C., Modeling enzyme-inhibitor interactions in serine proteases. International Journal Of Quantum Chemistry 1999, (3), 299-314.
  54. Ignaczak, A.; Gomes, JANF, Simulations of liquid water in contact with a Cu(100) surface. Journal Of Molecular Structure-Theochem 1999, (1-3), 227-238.
  55. Melo, A.; Ramos, M. J.; Floriano, W. B.; Gomes, JANF; Leao, J. F. R.; Magalhaes, A. L.; Maigret, B.; Nascimento, M. C.; Reuter, N., Theoretical study of arginine-carboxylate interactions. Journal Of Molecular Structure-Theochem 1999, (1-2), 81-90.
  56. Gomes, JANF; Ignaczak, A., A theoretical approach to the adsorption of ions on metal surfaces. Journal Of Molecular Structure-Theochem 1999, (1-2), 113-123.
  57. Fernandes, P. A.; Cordeiro, M.; Gomes, JANF, Molecular dynamics simulation of the water/1,2-dichloroethane interface. Journal Of Molecular Structure-Theochem 1999, (1-2), 151-156.
  58. Gomes, JANF R. B.; Gomes, JANF, Cluster model study of methoxy radical adsorption on the Cu (111) surface. Journal Of Molecular Structure-Theochem 1999, (1-2), 163-168.
  59. Fernandes, P. A.; Cordeiro, M.; Gomes, JANF, Molecular dynamics simulation of liquid 2-heptanone, pure and saturated with water. Journal Of Physical Chemistry B 1999, (7), 1176-1184.
  60. Ignaczak, A.; Gomes, JANF; Romanowski, S., The potential of mean force on halide ions near the Cu(100) surface. Journal Of Electroanalytical Chemistry 1998, (2), 175-188.
  61. Ignaczak, A.; Gomes, JANF, Quantum calculations on the adsorption of halide ions on the noble metals. Journal Of Electroanalytical Chemistry 1997, (1-2), 71-78.
  62. 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 1997, (1-2), 209-218.
  63. Carvalho, A. J. P.; Cordeiro, M.; Gomes, JANF, Simulation of the electron transfer process Cu2+ + Cu+ ↔ Cu+ + Cu2+ in aqueous solution. Theochem-Journal Of Molecular Structure 1996, 185-190.
  64. Magalhes, A. L.; Gomes, JANF, Density-functional methods for the study of the ground-state vibrations of the guanidinium ion. International Journal Of Quantum Chemistry 1997, (4), 725-739.
  65. Ignaczak, A.; Gomes, JANF, Interaction of halide ions with copper: The DFT approach. Chemical Physics Letters 1996, (5-6), 609-615.
  66. Gomes, JANF; Fonseca,Teresa, Early Years. Journal Of Molecular Liquids 1994, (1-3), R15-R15.
  67. Ramalho, J. P. P.; Cordeiro, M.; Gomes, JANF, Light-Metal Ions In Water - Quantal And Classical Simulations For 7Li+. Journal Of Molecular Liquids 1994, (1-3), 237-249.
  68. Romanowski, S. J.; Gomes, JANF, Monte-Carlo Studies Of The Chemisorption And Work Function-Temperature Effects On Noble-Metals. Journal Of Electroanalytical Chemistry 1994, (1-2), 133-140.
  69. Cordeiro, M.; Ignaczak, A.; Gomes, JANF, Simulation Of Water Solutions Of Ni2+ At Infinite Dilution. Chemical Physics 1993, 176(1), 97-108.
  70. Decastro, B. R. M.; Gomes, JANF; Mallion, R. B., Calculated London Pi-Electron Magnetic-Properties Of Some Carbon-Atom Fragments Extant On The Surface Of Icosahedral C-60 (Buckminsterfullerene). Croatica Chemica Acta 1993, (1), 49-58.
  71. Natalia, M.; Cordeiro, D. S.; Gomes, JANF, Abinitio Copper Water Interaction Potential For The Simulation Of Aqueous-Solutions. Journal Of Computational Chemistry 1993, 14(6), 629-638.
  72. Melo, A.; Gomes, JANF, Theoretical-Study Of Ionization-Potentials In Monosubstituted Benzenes. International Journal Of Quantum Chemistry 1993, (5), 651-669.
  73. Decastro, B. R. M.; Gomes, JANF; Mallion, R. B., Pi-Electron Ring Currents In Dipleiadiene. Theochem-Journal Of Molecular Structure 1992, 123-132.
  74. Decastro, B. R. M.; Gomes, JANF; Mallion, R. B., Calculated London Pi-Electron Magnetic-Properties Of Some Perturbed Annulenes, Their Dications And Dianions. Theochem-Journal of Molecular Structure 1992, 260, 133-142.
  75. Cordeiro, M.; Cammi, R.; Gomes, JANF; Tomasi, J., Analysis Of The Interaction Energy In The Cu+-H2O And Cl--H2O Systems, With Cp Corrections To The Bsse Of The Separate Terms, And Mc Simulations Of The Aqueous Systems With And Without Cp Corrections. Theoretica Chimica Acta 1992, 82(3-4), 165-187.
  76. Brown, T. J. N.; Mallion, R. B.; Pollak, P.; Decastro, B. R. M.; Gomes, JANF, The Number Of Spanning-Trees In Buckminsterfullerene. Journal of Computational Chemistry 1991, 12(9), 1118-1124.
  77. Gomes, JANF, The Properties of Polycyclic-Hydrocarbons - On The Theory Of Incremental Methods. Theochem-Journal Of Molecular Structure 1990, 210, 111-119.
  78. Cordeiro, M.; Gomes, JANF; Gonzalezlafont, A.; Lluch, J. M.; Bertran, J., The Role of Many-Body Interactions in The Stability of Hydrated Cu-2+ Clusters. Chemical Physics 1990, 210(2-3), 379-392.
  79. Cordeiro, M.; Gomes, JANF; Gonzalezlafont, A.; Lluch, J. M.; Oliva, A.; Bertran, J., The Cu+-H2O Interaction Potential And Its Application To The Study Of [Cu(H2o)N]+ Clusters At Different Temperatures. Journal Of The Chemical Society-Faraday Transactions II, 1988, 84(6), 693-704.
  80. Amaral, A.; Gomes, JANF; Ramos, M. J., Special Issue - Theoretical Chemistry 1984 - Proceedings Of The 15th Congress Of Theoretical Chemists Of Latin Expression, Viana-Do-Castelo, Portugal, 2-6 September 1984. Theochem-Journal Of Molecular Structure 1985, (FEB), 1-1.
  81. Fonseca, T.; Gomes, JANF; Grigolini, P.; Marchesoni, F., The Theory of Chemical reaction Rates. in 'Memory Function Approaches to Stochastic Problems in Condensed Matter', Ed. M.W. Evans, P. Grigolini and G. Pastori Parravicini, J.Wiley & Sons, Inc, ISBN: 9780471804826, 1985, Advances in Chemical Physics, vol. 62 page 389-443.
  82. Fonseca, T.; Gomes, JANF, Classical Dynamics of A Coupled Double Well Oscillator In Condensed Media .2. Journal Of Chemical Physics 1984, (5), 1826-1830.
  83. Gomes, JANF, Classical Dynamics Stochastic Theories Of Chemical-Reactions. Theochem-Journal of Molecular Structure 1984, 107, 139-155.
  84. Fonseca, T.; Gomes, JANF; Grigolini, P.; Marchesoni, F., Classical Dynamics of A Coupled Double Well Oscillator In Condensed Media. Journal of Chemical Physics 1983, 79(7), 3320-3327.
  85. Gomes, JANF, Topology of The Electronic Current-Density In Molecules. Physical Review A 1983, (2), 559-566.
  86. Gomes, JANF, Topological Analysis Of The Current-Density Field In Molecules. Theochem-Journal Of Molecular Structure 1983, 111-127.
  87. Gomes, JANF, Topological Elements Of The Magnetically Induced Orbital Current Densities. Journal Of Chemical Physics 1983, 78(7), 4585-4591.
  88. Gomes, JANF, Delocalized Magnetic Currents In Benzene. Journal Of Chemical Physics 1983, 78 (6), 3133-3139.
  89. Fonseca, T.; Gomes, JANF; Grigolini, P., Short-Time Description Of Chemical-Reaction By Stochastic Methods. International Journal Of Quantum Chemistry 1983, (2), 473-476.
  90. Gomes, JANF, Topological Theory Of The Electronic Currents In Benzene. Molecular Physics 1982, 47(5), 1227-1230.
  91. Gomes, JANF, Theory For A General System Of Increments For The Properties Of Polycyclic-Hydrocarbons. Theoretica Chimica Acta 1981, (4), 333-356.
  92. Gomes, JANF, Why Are The Properties Of Polycyclic-Hydrocarbons Additive Over Conjugation Circuits. Croatica Chemica Acta 1980, (4), 561-569.
  93. Gomes, JANF; Mallion, R. B., Calculated Magnetic-Properties Of Some Isomers Of Pyracylene. Journal Of Organic Chemistry 1981, (4), 719-727.
  94. Gomes, JANF, On The Use Of The Ring Current Concept. Molecular Physics 1980, (3), 765-769.
  95. Atkins, P. W.; Gomes, JANF, Charge And Current Densities For Approximate Molecular Wavefunctions. Molecular Physics 1976, (4), 1063-1074.
  96. Atkins, P. W.; Gomes, JANF, Optical-Activity Of Methane. Chemical Physics Letters 1976, (3), 519-520.
  97. Coulson, C. A.; Gomes, JANF; Mallion, R. B., Ring Magnetic-Susceptibilities In Conjugated Hydrocarbons. Molecular Physics 1975, (3), 713-732.
  98. Cordeiro M.N.D.S.; Gomes, JANF; Gonzalez-Lafont A.; Lluch, J.M.; Oliva, A.; Bertran, J, An Interaction Potential for the Cu0-H2O System. Application to a Monte Carlo Simmulation. Revista Portuguesa de Química 1988, 22, 40-45.
  99. Morais, V.M.F.; Amaral, A.M.S.C.; Gomes, JANF, Calculations on Intramolecular Hydrogen Bonds by the Molecular Force Field CNDO/2 Method. Revista Portuguesa de Química 1980, 22, 34-46.
  100. Gomes, JANF; and Mallion R.B., A Quasi-Topological Method for the Calculation of Relative 'Ring Current' Intensities in Polycyclic, Conjugated Hydrocarbons. Revista Portuguesa de Química 1978, 20, 152-157.
  101. Gomes, JANF, A Free-electron Model for the Delocalization Energies of Annulenes. Revista Portuguesa de Química 1978, 20, 152-157.
  102. Basto F.A.P.; Gomes, JANF; Machado A.A.S.C., Programa FITGL para a Decomposição de um Espectro Complexo nas suas Respectivas Bandas Componentes. Revista Portuguesa de Química 1974, 16, 44-48.