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Identification

Personal identification

Full name
JOSÉ ALBERTO NUNES FERREIRA GOMES
Date of birth
1947/07/14
Gender
Male

Citation names

  • José Ferreira Gomes
  • José Alberto Nunes Ferreira Gomes

Author identifiers

Ciência ID
461F-E815-7839
ORCID iD
0000-0002-5469-9449
Researcher Id
G-7973-2011

Addresses

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

Websites

Education
Degree Classification
2002 - 2003
Concluded
 Master em Gestion Universitária (Master)
Universitat Politècnica de Catalunya, Spain
1973/10/01 - 1976/01
Concluded
 DPhil in Physical Sciences (Doctor of Philosophy)
Major in Theoretical Chemistry
University of Oxford Linacre College, United Kingdom
"Some Magnetic Properties of Molecules" (THESIS/DISSERTATION)
1972/09/01 - 1973/09
Concluded
 MSc in Mathematics (Master)
Major in Theoretical Chemistry
University of Oxford Linacre College, United Kingdom
Outputs

Publications

Book chapter
  1. dos Santos, Djva; Gomes, Janf. "Chain length effect on the structure of alkyltrimethylammonium chloride monolayers between two immiscible liquids". edited by Cabuil, V.; Levitz, P.; Treiner, C., 68-73. 2004.
    10.1007/b93977
Journal article
  1. José Ferreira Gomes. "Professor do Ano 2020". Revista de Ciência Elementar 8 4 (2020): https://doi.org/10.24927/rce2020.048.
    10.24927/rce2020.048
  2. José Ferreira Gomes. "Professor do Ano 2019". Revista de Ciência Elementar 7 4 (2019): https://doi.org/10.24927/rce2019.063.
    10.24927/rce2019.063
  3. José Ferreira Gomes. "Que estudam os nossos jovens". Revista de Ciência Elementar 7 3 (2019): https://doi.org/10.24927/rce2019.040.
    10.24927/rce2019.040
  4. José Ferreira Gomes. "Prémios Nobel 2017". Revista de Ciência Elementar 5 4 (2017): https://doi.org/10.24927/rce2017.048.
    10.24927/rce2017.048
  5. José Ferreira Gomes. "Abandono escolar precoce". Revista de Ciência Elementar 5 3 (2017): https://doi.org/10.24927/rce2017.030.
    10.24927/rce2017.030
  6. José Ferreira Gomes. "Educação científica e desenvolvimento económico". Revista de Ciência Elementar 5 2 (2017): https://doi.org/10.24927/rce2017.015.
    10.24927/rce2017.015
  7. José Ferreira Gomes. "Para uma Casa das Ciências renovada e reforçada". Revista de Ciência Elementar 5 1 (2017): 1-2. https://doi.org/10.24927/rce2017.001.
    10.24927/rce2017.001
  8. José Ferreira Gomes. "PISA, TIMSS e Rankings". Revista de Ciência Elementar 4 4 (2016): https://doi.org/10.24927/rce2016.023.
    10.24927/rce2016.023
  9. José Ferreira Gomes. "Prémios Nobel 2016". Revista de Ciência Elementar 4 2 (2016): https://doi.org/10.24927/rce2016.010.
    10.24927/rce2016.010
  10. José Ferreira Gomes. "Ciência para todos". Revista de Ciência Elementar 4 1 (2016): https://doi.org/10.24927/rce2016.001.
    10.24927/rce2016.001
  11. José Ferreira Gomes. "Filosofia da natureza". Revista de Ciência Elementar 3 4 (2015): https://doi.org/10.24927/rce2015.044.
    10.24927/rce2015.044
  12. José Ferreira Gomes. "Ciência elementar". Revista de Ciência Elementar 1 1 (2013): https://doi.org/10.24927/rce2013.001.
    10.24927/rce2013.001
  13. Strutynski, K.; Gomes, J.A.N.F.. "The subtle effect of vdW interactions upon the C60 fullerene structure". Computational and Theoretical Chemistry 1026 (2013): 12-16. http://www.scopus.com/inward/record.url?eid=2-s2.0-84886502085&partnerID=MN8TOARS.
    10.1016/j.comptc.2013.10.002
  14. Strutynski, K.; Melle-Franco, M.; Gomes, J.A.N.F.. "New parameterization scheme of DFT-D for graphitic materials". Journal of Physical Chemistry A 117 13 (2013): 2844-2853. http://www.scopus.com/inward/record.url?eid=2-s2.0-84875871459&partnerID=MN8TOARS.
    10.1021/jp312239n
  15. Lipinska, M. E.; Rebelo, S. L. H.; Pereira, M. F. R.; Gomes, Janf; Freire, C.; Figueiredo, J. L.. "New insights into the functionalization of multi-walled carbon nanotubes with aniline derivatives". Carbon 50 9 (2012): 3280-3294.
    10.1016/j.carbon.2011.12.018
  16. Hofinger, S.; Melle-Franco, M.; Gallo, T.; Cantelli, A.; Calvaresi, M.; Gomes, Janf; Zerbetto, F.. "A computational analysis of the insertion of carbon nanotubes into cellular membranes". Biomaterials 32 29 (2011): 7079-7085.
    10.1016/j.biomaterials.2011.06.011
  17. Vieira, E. S.; Gomes, Janf. "An impact indicator for researchers". Scientometrics 89 2 (2011): 607-629.
    10.1007/s11192-011-0464-0
  18. Dickens, T. K.; Gomes, Janf; Mallion, R. B.. "Some Comments on Topological Approaches to the pi-Electron Currents in Conjugated Systems". Journal of Chemical Theory and Computation 7 11 (2011): 3661-3674.
    10.1021/ct2002539
  19. Vieira, E. S.; Gomes, Janf. "The journal relative impact: an indicator for journal assessment". Scientometrics 89 2 (2011): 631-651.
    10.1007/s11192-011-0469-8
  20. Vieira, E. S.; Gomes, Janf. "A research impact indicator for institutions". Journal of Informetrics 4 4 (2010): 581-590.
    10.1016/j.joi.2010.06.006
  21. Vieira, E. S.; Gomes, Janf. "Citations to scientific articles: Its distribution and dependence on the article features". Journal of Informetrics 4 1 (2010): 1-13.
    10.1016/j.joi.2009.06.002
  22. Szefczyk, B.; Franco, R.; Gomes, Janf; Cordeiro, Mnds. "Structure of the interface between water and self-assembled monolayers of neutral, anionic and cationic alkane thiols". Journal of Molecular Structure-Theochem 946 1-3 (2010): 83-87.
    10.1016/j.theochem.2009.11.021
  23. Vieira, E. S.; Gomes, Janf. "A comparison of Scopus and Web of Science for a typical university". Scientometrics 81 2 (2009): 587-600.
    10.1007/s11192-009-2178-0
  24. Sousa, S. F.; Carvalho, E. S.; Ferreira, D. M.; Tavares, I. S.; Fernandes, P. A.; Ramos, M. J.; Gomes, Janf. "Comparative Analysis of the Performance of Commonly Available Density Functionals in the Determination of Geometrical Parameters for Zinc Complexes". Journal of Computational Chemistry 30 16 (2009): 2752-2763.
    10.1002/jcc.21304
  25. 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 14 7 (2009): 1119-1128.
    10.1007/s00775-009-0556-y
  26. Cordeiro, Mnds; Pinto, A. S. S.; Gomes, Janf. "A DFT study of the chemisorption of methoxy on clean and low oxygen precovered Ru(0001) surfaces". Surface Science 601 12 (2007): 2473-2485.
    10.1016/j.susc.2007.04.168
  27. Santos, H. R. R.; Ujaque, G.; Ramos, M. J.; Gomes, Janf. "Effect of the tert-butiloxycarbonyl protecting group on the adsorption of protected amino-cyclopentene on the Si(100) surface". Physical Review B 75 12 (2007):
    12541310.1103/PhysRevB.75.125413
  28. Santos, H. R. R.; Ramos, M. J.; Gomes, Janf. "Microscopic detail provided for the adsorption of protected amino-cyclopentene on Si(100)". Chemical Physics Letters 448 1-3 (2007): 111-114.
    10.1016/j.cplett.2007.09.064
  29. Suwattanamala, A.; Magalhaes, A. L.; Gomes, Janf. "Theoretical study on the structure and conformational features of distally dibromo-dipropoxythiacalix 4 arene derivatives and their Zn2+ complexes". Theoretical Chemistry Accounts 117 3 (2007): 431-440.
    10.1007/s00214-006-0173-6
  30. Santos, H.R.R.; Ujaque, G.; Ramos, M.J.; Gomes, J.A.N.F.. "Effect of the tert-butiloxycarbonyl protecting group on the adsorption of protected amino-cyclopentene on the Si(100) surface". Physical Review B - Condensed Matter and Materials Physics 75 12 (2007): http://www.scopus.com/inward/record.url?eid=2-s2.0-33947263693&partnerID=MN8TOARS.
    10.1103/PhysRevB.75.125413
  31. 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 320 2-3 (2006): 193-206.
    10.1016/j.chemphys.2005.07.024
  32. Santos, H. R. R.; Ujaque, G.; Ramos, M. J.; Gomes, Janf. "QM/QM study of the coverage effects on the adsorption of amino-cyclopentene at the Si(100) surface". Journal of Computational Chemistry 27 15 (2006): 1892-1897.
    10.1002/jcc.20513
  33. Suwattanamala, A.; Magalhaes, A. L.; Gomes, Janf. "Computational study of calix 4 arene derivatives and complexation with Zn2+". Chemical Physics 310 1-3 (2005): 109-122.
    10.1016/j.chemphys.2004.10.029
  34. Santos, H.R.R.; Ramos, M.J.; Gomes, J.A.N.F.. "Adsorption of protected and unprotected amino-cyclopentene at the Si(100) surface modeled with a hybrid quantum mechanical cluster technique". Physical Review B - Condensed Matter and Materials Physics 72 7 (2005): http://www.scopus.com/inward/record.url?eid=2-s2.0-33644956005&partnerID=MN8TOARS.
    10.1103/PhysRevB.72.075445
  35. Santos, H. R. R.; Ramos, M. J.; Gomes, Janf. "A new strategy to model the Si(100) surface". Comptes Rendus Chimie 8 9-10 (2005): 1461-1468.
    10.1016/j.crci.2004.10.033
  36. 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 72 7 (2005):
    07544510.1103/PhysRevB.72.075445
  37. 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 109 47 (2005): 10742-10752.
    10.1021/jp054338x
  38. Suwattanamala, A.; Magalhaes, A. L.; Gomes, Janf. "Comparative study of novel sulfonylcalix 4 arene derivative compounds". Journal of Molecular Structure-Theochem 729 1-2 (2005): 83-90.
    10.1016/j.theochem.2005.03.060
  39. Pinto, A. S. S.; de Barros, R. B.; Cordeiro, Mnds; 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 566 (2004): 965-970.
    10.1016/j.susc.2004.06.037
  40. Suwattanamala, A.; Magalhaes, A. L.; Gomes, Janf. "Structure and conformational equilibrium of new thiacalix 4 arene derivatives". Chemical Physics Letters 385 5-6 (2004): 368-373.
    10.1016/j.cplett.2004.01.008
  41. dos Santos, Djva; Gomes, Janf. "Structure and properties of hexadecyltrimethylammonium chloride monolayers in contact with oil films with different thicknesses". Journal of Physical Chemistry B 108 44 (2004): 17153-17159.
    10.1021/jp0493778
  42. Bernardo, Cgpm; Gomes, Janf. "Cluster model DFT study of acetylene adsorption on the Cu (100) surface". Journal of Molecular Structure-Theochem 629 (2003): 251-261.
    10.1016/s0166-1280(03)00194-5
  43. dos Santos, Djva; Gomes, Janf. "Molecular dynamics study of a hexadecyltrimethylammonium chloride monolayer at the interface between two immiscible liquids". Langmuir 19 3 (2003): 958-966.
    10.1021/la026448q
  44. Bernardo, C.G.P.M.; Gomes, J.A.N.F.. "Cluster model DFT study of acetylene adsorption on the Cu (100) surface". Journal of Molecular Structure: THEOCHEM 629 (2003): 251-261. http://www.scopus.com/inward/record.url?eid=2-s2.0-0042473889&partnerID=MN8TOARS.
    10.1016/S0166-1280(03)00194-5
  45. dos Santos, Djva; Gomes, Janf. "Molecular dynamics study of the calcium ion transfer across the water/nitrobenzene interface". Chemphyschem 3 11 (2002): 946-951.
    10.1002/1439-7641(20021115)3:11<946::aid-cphc946>3.0.co;2-m
  46. Bernardo, Cgpm; Gomes, Janf. "The adsorption of ethylene on the (110) surfaces of copper, silver and platinum: a DFT study". Journal of Molecular Structure-Theochem 582 (2002): 159-169.
    10.1016/s0166-1280(01)00771-0
  47. Dos Santos, D.J.V.A.; Gomes, J.A.N.F.. "Molecular dynamics study of the calcium ion transfer across the water/nitrobenzene interface". ChemPhysChem 3 11 (2002): 946-951. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037112723&partnerID=MN8TOARS.
    10.1002/1439-7641(20021115)3:11<946::AID-CPHC946>3.0.CO;2-M
  48. Bernardo, C.G.P.M.; Gomes, J.A.N.F.. "The adsorption of ethylene on the (110) surfaces of copper, silver and platinum: A DFT study". Journal of Molecular Structure: THEOCHEM 582 (2002): 159-169. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037066361&partnerID=MN8TOARS.
    10.1016/S0166-1280(01)00771-0
  49. Gomes, J. R. B.; Gomes, Janf. "A DFT study of the methanol oxidation catalyzed by a copper surface". Surface Science 471 1-3 (2001): 59-70.
    10.1016/s0039-6028(00)00881-5
  50. Cordeiro, Mnds; 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 105 13 (2001): 3140-3147.
    10.1021/jp003042i
  51. Gomes, Janf; Mallion, R. B.. "Aromaticity and ring currents". Chemical Reviews 101 5 (2001): 1349-1383.
    10.1021/cr990323h
  52. Gomes, J. 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 170 1-2 (2001): 187-193.
    10.1016/s1381-1169(01)00059-0
  53. Henriques, E.S.; Floriano, W.B.; Reuter, N.; Melo, A.; Brown, D.; Gomes, J.A.N.F.; Maigret, B.; Nascimento, M.A.C.; Ramos, M.J.. "The search for a new model structure of ß-factor XIIa". Journal of Computer-Aided Molecular Design 15 4 (2001): 309-322. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035059225&partnerID=MN8TOARS.
    10.1023/A:1011128521816
  54. Fernandes, P. A.; Cordeiro, Mnds; Gomes, Janf. "Molecular simulation of the interface between two immiscible electrolyte solutions". Journal of Physical Chemistry B 105 5 (2001): 981-993.
    10.1021/jp002571j
  55. 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 542 (2001): 263-271.
    10.1016/s0166-1280(00)00846-0
  56. Bernardo, C.G.P.M.; Gomes, J.A.N.F.. "The adsorption of ethylene on the (100) surfaces of platinum, palladium and nickel: A DFT study". Journal of Molecular Structure: THEOCHEM 542 (2001): 263-271. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035877173&partnerID=MN8TOARS.
    10.1016/S0166-1280(00)00846-0
  57. 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 15 4 (2001): 309-322.
    10.1023/a:1011128521816
  58. Natália, M.; Cordeiro, D.S.; Dias, A.A.; Lourdes Costa, M.; Gomes, J.A.N.F.. "A Theoretical Study of the Gas-Phase Pyrolysis of 2-Azidoacetic Acid". Journal of Physical Chemistry A 105 13 (2001): 3140-3147. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035810442&partnerID=MN8TOARS.
  59. Fernandes, P.A.; Natália, M.; Cordeiro, D.S.; Gomes, J.A.N.F.. "Molecular simulation of the interface between two immiscible electrolyte solutions". Journal of Physical Chemistry B 105 5 (2001): 981-993. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035250413&partnerID=MN8TOARS.
  60. Gomes, J. R. B.; Gomes, Janf. "A theoretical study of dioxymethylene, proposed as intermediate in the oxidation of formaldehyde to formate over copper". Surface Science 446 3 (2000): 283-293.
    10.1016/s0039-6028(99)01157-7
  61. Carvalho, A.P.; Gomes, J.A.N.F.; Cordeiro, M.N.D.S.. "Parallel Implementation of a Monte Carlo Molecular Simulation Program". Journal of Chemical Information and Computer Sciences 40 3 (2000): 588-592. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000483898&partnerID=MN8TOARS.
  62. Gomes, J. R. B.; Gomes, Janf. "Adsorption of the formyl species on transition metal surfaces". Journal of Electroanalytical Chemistry 483 1-2 (2000): 180-187.
    10.1016/s0022-0728(00)00014-0
  63. Fernandes, P.A.; Natália, M.; Cordeiro, D.S.; Gomes, J.A.N.F.. "Influence of Ion Size and Charge in Ion Transfer Processes Across a Liquid|Liquid Interface". Journal of Physical Chemistry B 104 10 (2000): 2278-2286. http://www.scopus.com/inward/record.url?eid=2-s2.0-0001606789&partnerID=MN8TOARS.
  64. Gomes, J. R. B.; Gomes, Janf. "Comparative study of geometry and bonding character for methoxy radical adsorption on noble metals". Journal of Molecular Structure-Theochem 503 3 (2000): 189-200.
    10.1016/s0166-1280(99)00286-9
  65. Fernandes, P. A.; Cordeiro, Mnds; Gomes, Janf. "Influence of ion size and charge in ion transfer processes across a liquid vertical bar liquid interface". Journal of Physical Chemistry B 104 10 (2000): 2278-2286.
    10.1021/jp993045z
  66. Carvalho, A. P.; Gomes, Janf; Cordeiro, Mnds. "Parallel implementation of a Monte Carlo molecular simulation program". Journal of Chemical Information and Computer Sciences 40 3 (2000): 588-592.
    10.1021/ci990101k
  67. Fernandes, P.A.; Cordeiro, M.N.D.S.; Gomes, J.A.N.F.. "Molecular Dynamics Study of the Transfer of Iodide across Two Liquid/Liquid Interfaces". Journal of Physical Chemistry B 103 42 (1999): 8930-8939. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000480945&partnerID=MN8TOARS.
  68. Carvalho, A.P.; Cordeiro, M.N.D.S.; Gomes, J.A.N.F.. "Influence of interionic separation in electron transfer reactions". Journal of Molecular Structure: THEOCHEM 488 (1999): 169-178. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033213943&partnerID=MN8TOARS.
    10.1016/S0166-1280(98)00630-7
  69. Ramos, M.J.; Melo, A.; Henriques, E.S.; Gomes, J.A.N.F.; Reuter, N.; Maigret, B.; Floriano, W.B.; Nascimento, M.A.C.. "Modeling enzyme-inhibitor interactions in serine proteases". International Journal of Quantum Chemistry 74 3 (1999): 299-314. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000260421&partnerID=MN8TOARS.
  70. Gomes, J. R. B.; Gomes, Janf. "A DFT study of dioxymethylene adsorption on the copper (111) surface". Electrochimica Acta 45 4-5 (1999): 653-658.
    10.1016/s0013-4686(99)00244-3
  71. Ignaczak, A.; Gomes, J.A.N.F.; Cordeiro, M.N.D.S.. "Quantum and simulation studies of X-(H2O)n systems". Electrochimica Acta 45 4-5 (1999): 659-673. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033220726&partnerID=MN8TOARS.
    10.1016/S0013-4686(99)00245-5
  72. Fernandes, P.A.; Cordeiro, M.N.D.S.; Gomes, J.A.N.F.. "Molecular dynamics simulation of the water/1,2-dichloroethane interface". Journal of Molecular Structure: THEOCHEM 463 1-2 (1999): 151-156. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033597061&partnerID=MN8TOARS.
    10.1016/S0166-1280(98)00405-9
  73. Gomes, J. R. B.; Gomes, Janf. "Adsorption of the formate species on copper surfaces: a DFT study". Surface Science 432 3 (1999): 279-290.
    10.1016/s0039-6028(99)00605-6
  74. Melo, A.; Ramos, M.J.; Floriano, W.B.; Gomes, J.A.N.F.; 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 463 1-2 (1999): 81-90. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033597076&partnerID=MN8TOARS.
    10.1016/S0166-1280(98)00396-0
  75. Gomes, J. R. B.; Gomes, Janf. "Cluster model study of methoxy radical adsorption on the Cu (111) surface". Journal of Molecular Structure-Theochem 463 1-2 (1999): 163-168.
    10.1016/s0166-1280(98)00407-2
  76. Fernandes, P.A.; Cordeiro, M.N.D.S.; Gomes, J.A.N.F.. "Molecular dynamics simulation of the water/2-heptanone liquid-liquid interface". Journal of Physical Chemistry B 103 30 (1999): 6290-6299. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000578941&partnerID=MN8TOARS.
  77. Ignaczak, A.; Gomes, J.A.N.F.. "Simulations of liquid water in contact with a Cu(100) surface". Journal of Molecular Structure: THEOCHEM 464 1-3 (1999): 227-238. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033580526&partnerID=MN8TOARS.
    10.1016/S0166-1280(98)00554-5
  78. Gomes, J. 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 443 3 (1999): 165-176.
    10.1016/s0039-6028(99)01027-4
  79. 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 74 3 (1999): 299-314.
    10.1002/(sici)1097-461x(1999)74:3<299::aid-qua3>3.0.co;2-k
  80. Gomes, J.A.N.F.; Ignaczak, A.. "A theoretical approach to the adsorption of ions on metal surfaces". Journal of Molecular Structure: THEOCHEM 463 1-2 (1999): 113-123. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033597085&partnerID=MN8TOARS.
    10.1016/S0166-1280(98)00401-1
  81. Fernandes, P. A.; Cordeiro, Mnds; Gomes, Janf. "Molecular dynamics simulation of liquid 2-heptanone, pure and saturated with water". Journal of Physical Chemistry B 103 7 (1999): 1176-1184.
    10.1021/jp983170v
  82. Fernandes, P.A.; Cordeiro, M.N.D.S.; Gomes, J.A.N.F.. "Molecular dynamics simulation of liquid 2-heptanone, pure and saturated with water". Journal of Physical Chemistry B 103 7 (1999): 1176-1184. http://www.scopus.com/inward/record.url?eid=2-s2.0-0344004660&partnerID=MN8TOARS.
  83. Fernandes, P. A.; Cordeiro, Mnds; Gomes, Janf. "Molecular dynamics simulation of the water/1,2-dichloroethane interface". Journal of Molecular Structure-Theochem 463 1-2 (1999): 151-156.
    10.1016/s0166-1280(98)00405-9
  84. Fernandes, P. A.; Cordeiro, Mnds; Gomes, Janf. "Molecular dynamics simulation of the water/2-heptanone liquid-liquid interface". Journal of Physical Chemistry B 103 30 (1999): 6290-6299.
    10.1021/jp9844213
  85. Fernandes, P. A.; Cordeiro, Mnds; Gomes, Janf. "Molecular dynamics study of the transfer of iodide across two liquid/liquid interfaces". Journal of Physical Chemistry B 103 42 (1999): 8930-8939.
    10.1021/jp9916945
  86. Ignaczak, A.; Gomes, Janf; Cordeiro, Mnds. "Quantum and simulation studies of X-(H2O)(n) systems". Electrochimica Acta 45 4-5 (1999): 659-673.
    10.1016/s0013-4686(99)00245-5
  87. Ignaczak, A.; Gomes, J.A.N.F.; Romanowski, S.. "The potential of mean force on halide ions near the Cu(100) surface". Journal of Electroanalytical Chemistry 450 2 (1998): 175-188. http://www.scopus.com/inward/record.url?eid=2-s2.0-0032089843&partnerID=MN8TOARS.
  88. Ignaczak, A.; Gomes, Janf; Romanowski, S.. "The potential of mean force on halide ions near the Cu(100) surface". Journal of Electroanalytical Chemistry 450 2 (1998): 175-188.
    10.1016/s0022-0728(97)00639-6
  89. Magalhães, A.L.; Gomes, J.A.N.F.. "Density-functional methods for the study of the ground-state vibrations of the guanidinium ion". International Journal of Quantum Chemistry 61 4 (1997): 725-739. http://www.scopus.com/inward/record.url?eid=2-s2.0-0141885560&partnerID=MN8TOARS.
  90. Ignaczak, A.; Gomes, J.A.N.F.. "Quantum calculations on the adsorption of halide ions on the noble metals". Journal of Electroanalytical Chemistry 420 1-2 (1997): 71-78. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030649752&partnerID=MN8TOARS.
  91. Ignaczak, A.; Gomes, J.A.N.F.. "A theoretical study of the interaction of water molecules with the Cu(100), Ag(100) and Au(100), surfaces". Journal of Electroanalytical Chemistry 420 1-2 (1997): 209-218. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030649948&partnerID=MN8TOARS.
  92. 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 420 1-2 (1997): 209-218.
    10.1016/s0022-0728(96)04778-x
  93. 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 61 4 (1997): 725-739.
    10.1002/(sici)1097-461x(1997)61:4<725::aid-qua16>3.3.co;2-z
  94. Ignaczak, A.; Gomes, Janf. "Quantum calculations on the adsorption of halide ions on the noble metals". Journal of Electroanalytical Chemistry 420 1-2 (1997): 71-78.
    10.1016/s0022-0728(96)04815-2
  95. Carvalho, A.J.P.; Cordeiro, M.N.D.S.; Gomes, J.A.N.F.. "Simulation of the electron transfer process Cu2+ + Cu2+ ¿ Cu+ + Cu2+ in aqueous solution". Journal of Molecular Structure: THEOCHEM 371 1-3 SPEC. (1996): 185-190. http://www.scopus.com/inward/record.url?eid=2-s2.0-0042539927&partnerID=MN8TOARS.
    10.1016/S0166-1280(96)04668-4
  96. Ignaczak, A.; Gomes, J.A.N.F.. "Interaction of halide ions with copper: The DFT approach". Chemical Physics Letters 257 5-6 (1996): 609-615. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030564708&partnerID=MN8TOARS.
  97. Ignaczak, A.; Gomes, Janf. "Interaction of halide ions with copper: The DFT approach". Chemical Physics Letters 257 5-6 (1996): 609-615.
    10.1016/0009-2614(96)00603-3
  98. Carvalho, A. J. P.; Cordeiro, Mnds; Gomes, Janf. "Simulation of the electron transfer process Cu2++Cu+reversible arrow Cu++Cu2+ in aqueous solution". Theochem-Journal of Molecular Structure 371 (1996): 185-190.
    10.1016/s0166-1280(96)04668-4
  99. Romanowski, S.J.; Gomes, J.A.N.F.. "Monte Carlo studies of the chemisorption and work function temperature effects on noble metals". Journal of Electroanalytical Chemistry 373 1-2 (1994): 133-140. http://www.scopus.com/inward/record.url?eid=2-s2.0-0342889434&partnerID=MN8TOARS.
  100. Ramalho, J.P.P.; Natália, M.; Cordeiro, D.S.; Gomes, J.A.N.F.. "Light metal ions in water: Quantal and classical simulations for 7Li+". Journal of Molecular Liquids 60 1-3 (1994): 237-249. http://www.scopus.com/inward/record.url?eid=2-s2.0-0028461791&partnerID=MN8TOARS.
  101. Magalhaes, A.; Maigret, B.; Hoflack, J.; Gomes, Janf; Scheraga, H. A.. "CONTRIBUTION OF UNUSUAL ARGININE-ARGININE SHORT-RANGE INTERACTIONS TO STABILIZATION AND RECOGNITION IN PROTEINS". Journal of Protein Chemistry 13 2 (1994): 195-215.
    10.1007/bf01891978
  102. Gomes, Janf. "FONSECA,TERESA, EARLY YEARS". Journal of Molecular Liquids 60 1-3 (1994): R15-R15.
    10.1016/0167-7322(94)80015-4
  103. Ramalho, J. P. P.; Cordeiro, Mnds; Gomes, Janf. "LIGHT-METAL IONS IN WATER - QUANTAL AND CLASSICAL SIMULATIONS FOR LI7+". Journal of Molecular Liquids 60 1-3 (1994): 237-249.
    10.1016/0167-7322(94)00747-0
  104. Romanowski, S. J.; Gomes, Janf. "MONTE-CARLO STUDIES OF THE CHEMISORPTION AND WORK FUNCTION-TEMPERATURE EFFECTS ON NOBLE-METALS". Journal of Electroanalytical Chemistry 373 1-2 (1994): 133-140.
    10.1016/0022-0728(94)03327-7
  105. Natália, M.; Cordeiro, D.S.; Ignaczak, A.; Gomes, J.A.N.F.. "Simulation of water solutions of Ni2+ at infinite dilution". Chemical Physics 176 1 (1993): 97-108. http://www.scopus.com/inward/record.url?eid=2-s2.0-43949166174&partnerID=MN8TOARS.
  106. Melo, A.; Gomes, Janf. "THEORETICAL-STUDY OF IONIZATION-POTENTIALS IN MONOSUBSTITUTED BENZENES". International Journal of Quantum Chemistry 46 5 (1993): 651-669.
    10.1002/qua.560460506
  107. de Castro, B.R.M.; Gomes, J.A.N.F.; Mallion, R.B.. "p-Electron "ring currents" in dipleiadiene". Journal of Molecular Structure: THEOCHEM 260 C (1992): 123-132. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000413123&partnerID=MN8TOARS.
  108. de Castro, B.R.M.; Gomes, J.A.N.F.; Mallion, R.B.. "Calculated "London" p-electron magnetic properties of some "perturbed" annulenes, their dications and dianions". Journal of Molecular Structure: THEOCHEM 260 C (1992): 133-142. http://www.scopus.com/inward/record.url?eid=2-s2.0-0011627223&partnerID=MN8TOARS.
  109. Natália, M.; Cordeiro, D.S.; Cammi, R.; Gomes, J.A.N.F.; 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 82 3-4 (1992): 165-187. http://www.scopus.com/inward/record.url?eid=2-s2.0-0043067723&partnerID=MN8TOARS.
    10.1007/BF01113250
  110. 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 12 9 (1991): 1118-1124.
    10.1002/jcc.540120909
  111. Gomes, J.A.N.F.. "The properties of polycyclic hydrocarbons: on the theory of incremental methods". Journal of Molecular Structure: THEOCHEM 210 C (1990): 111-119. http://www.scopus.com/inward/record.url?eid=2-s2.0-44949267655&partnerID=MN8TOARS.
  112. Cordeiro, M.N.D.S.; Gomes, J.A.N.F.; González-Lafont, A.; Lluch, J.M.; Bertrán, J.. "The role of many-body interactions in the stability of hydrated Cu2+ clusters". Chemical Physics 141 2-3 (1990): 379-392. http://www.scopus.com/inward/record.url?eid=2-s2.0-0348241149&partnerID=MN8TOARS.
  113. Cordeiro, Mnds; 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 141 2-3 (1990): 379-392.
    10.1016/0301-0104(90)87071-i
  114. Natália, M.; Cordeiro, D.S.; Gomes, J.A.N.F.; Gonzàlez-Lafont, A.; Lluch, J.M.; Oliva, A.; Bertrán, 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 2: Molecular and Chemical Physics 84 6 (1988): 693-704. http://www.scopus.com/inward/record.url?eid=2-s2.0-37049074252&partnerID=MN8TOARS.
    10.1039/F29888400693
  115. Amaral, A.; Gomes, J.A.N.F.; Ramos, M.. "Preface". Journal of Molecular Structure: THEOCHEM 120 C (1985): http://www.scopus.com/inward/record.url?eid=2-s2.0-46549104257&partnerID=MN8TOARS.
  116. Gomes, J.A.N.F.. "Classical dynamics stochastic theories of chemical reactions". Journal of Molecular Structure: THEOCHEM 107 C (1984): 139-155. http://www.scopus.com/inward/record.url?eid=2-s2.0-48749139146&partnerID=MN8TOARS.
  117. Fonseca, T.; Gomes, Janf; Grigolini, P.; Marchesoni, F.. "CLASSICAL DYNAMICS OF A COUPLED DOUBLE WELL OSCILLATOR IN CONDENSED MEDIA .2". Journal of Chemical Physics 80 5 (1984): 1826-1830.
    10.1063/1.446941
  118. Fonseca, T.; Gomes, Janf; Grigolini, P.; Marchesoni, F.. "CLASSICAL DYNAMICS OF A COUPLED DOUBLE WELL OSCILLATOR IN CONDENSED MEDIA". Journal of Chemical Physics 79 7 (1983): 3320-3327.
    10.1063/1.446233
  119. Gomes, Janf. "DELOCALIZED MAGNETIC CURRENTS IN BENZENE". Journal of Chemical Physics 78 6 (1983): 3133-3139.
    10.1063/1.445227
  120. Fonseca, T.; Gomes, Janf; Grigolini, P.. "SHORT-TIME DESCRIPTION OF CHEMICAL-REACTION BY STOCHASTIC METHODS". International Journal of Quantum Chemistry 23 2 (1983): 473-476.
    10.1002/qua.560230216
  121. Gomes, Janf. "TOPOLOGICAL ELEMENTS OF THE MAGNETICALLY INDUCED ORBITAL CURRENT DENSITIES". Journal of Chemical Physics 78 7 (1983): 4585-4591.
    10.1063/1.445299
  122. Gomes, Janf. "TOPOLOGY OF THE ELECTRONIC CURRENT-DENSITY IN MOLECULES". Physical Review A 28 2 (1983): 559-566.
    10.1103/PhysRevA.28.559
  123. Fonseca, T.; Gomes, J.A.N.F.; Grigolini, P.; Marchesoni, F.. "Classical dynamics of a coupled double well oscillator in condensed media". The Journal of Chemical Physics 79 7 (1983): 3320-3327. http://www.scopus.com/inward/record.url?eid=2-s2.0-33645055833&partnerID=MN8TOARS.
  124. Fonseca, T.; Gomes, J.A.N.F.; Grigolini, P.; Marchesoni, F.. "Classical dynamics of a coupled double well oscillator in condensed media. II". The Journal of Chemical Physics 80 5 (1983): 1826-1830. http://www.scopus.com/inward/record.url?eid=2-s2.0-36549090736&partnerID=MN8TOARS.
  125. Gomes, J.A.N.F.. "Topological elements of the magnetically induced orbital current densities". The Journal of Chemical Physics 78 7 (1983): 4585-4591. http://www.scopus.com/inward/record.url?eid=2-s2.0-0011689916&partnerID=MN8TOARS.
  126. Gomes, J.A.N.F.. "Delocalized magnetic currents in benzene". The Journal of Chemical Physics 78 6 (1983): 3133-3139. http://www.scopus.com/inward/record.url?eid=2-s2.0-0011564675&partnerID=MN8TOARS.
  127. Gomes, J.A.N.F.. "Topological analysis of the current density field in molecules". Journal of Molecular Structure: THEOCHEM 93 C (1983): 111-127. http://www.scopus.com/inward/record.url?eid=2-s2.0-0011617185&partnerID=MN8TOARS.
  128. Gomes, Janf. "TOPOLOGICAL THEORY OF THE ELECTRONIC CURRENTS IN BENZENE". Molecular Physics 47 5 (1982): 1227-1230.
    10.1080/00268978200100912
  129. Gomes, Janf; Mallion, R. B.. "CALCULATED MAGNETIC-PROPERTIES OF SOME ISOMERS OF PYRACYLENE". Journal of Organic Chemistry 46 4 (1981): 719-727.
    10.1021/jo00317a014
  130. Gomes, Janf. "THEORY FOR A GENERAL SYSTEM OF INCREMENTS FOR THE PROPERTIES OF POLYCYCLIC-HYDROCARBONS". Theoretica Chimica Acta 59 4 (1981): 333-356.
    10.1007/bf02402398
  131. Gomes, J.A.N.F.. "Theory for a general system of increments for the properties of polycyclic hydrocarbons". Theoretica Chimica Acta 59 4 (1981): 333-356. http://www.scopus.com/inward/record.url?eid=2-s2.0-0342389078&partnerID=MN8TOARS.
    10.1007/BF02402398
  132. Gomes, J.A.N.F.; Mallion, R.B.. "Calculated magnetic properties of some isomers of pyracylene". Journal of Organic Chemistry 46 4 (1981): 719-727. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000587662&partnerID=MN8TOARS.
  133. Gomes, Janf. "ON THE USE OF THE RING CURRENT CONCEPT". Molecular Physics 40 3 (1980): 765-769.
    10.1080/00268978000101861
  134. Atkins, P. W.; Gomes, Janf. "CHARGE AND CURRENT DENSITIES FOR APPROXIMATE MOLECULAR WAVEFUNCTIONS". Molecular Physics 32 4 (1976): 1063-1074.
    10.1080/00268977600102461
  135. Atkins, P. W.; Gomes, Janf. "OPTICAL-ACTIVITY OF METHANE". Chemical Physics Letters 39 3 (1976): 519-520.
    10.1016/0009-2614(76)80319-3
  136. Atkins, P.W.; Gomes, J.A.N.F.. "The optical activity of methane". Chemical Physics Letters 39 3 (1976): 519-520. http://www.scopus.com/inward/record.url?eid=2-s2.0-4644326354&partnerID=MN8TOARS.
  137. Coulson, C. A.; Gomes, Janf; Mallion, R. B.. "RING MAGNETIC-SUSCEPTIBILITIES IN CONJUGATED HYDROCARBONS". Molecular Physics 30 3 (1975): 713-732.
    10.1080/00268977500102281