| Progress in the understanding of tyramine electropolymerisation mechanism AM Tenreiro, C Nabais, JP Correia, F Fernandes, JR Romero, ... Journal of Solid State Electrochemistry 11, 1059-1069, 2007 | 47 | 2007 |
| Ab initio study of the conformational equilibrium of ethylene glycol BJC Cabral, LMPC Albuquerque, FMSS Fernandes Theoretica chimica acta 78, 271-280, 1991 | 35 | 1991 |
| Phase diagrams of alkali halides using two interaction models: A molecular dynamics and free energy study PCR Rodrigues, F Silva Fernandes The Journal of chemical physics 126 (2), 2007 | 33 | 2007 |
| Mapping potential energy surfaces by neural networks: The ethanol/Au (1 1 1) interface DARS Latino, RPS Fartaria, FFM Freitas, J Aires-de-Sousa, ... Journal of Electroanalytical Chemistry 624 (1-2), 109-120, 2008 | 31 | 2008 |
| Modelling water adsorption on Au (2 1 0) surfaces. I. A force field for water–Au interactions by DFT RS Neves, AJ Motheo, RPS Fartaria, FMSS Fernandes Journal of Electroanalytical Chemistry 609 (2), 140-146, 2007 | 30 | 2007 |
| A force field for simulating ethanol adsorption on Au (111) surfaces. A DFT study RPS Fartaria, FFM Freitas, FMS Silva Fernandes International Journal of Quantum Chemistry 107 (11), 2169-2177, 2007 | 28 | 2007 |
| Monte Carlo Simulation of the Phase Diagram of C60 Using Two Interaction Potentials. Enthalpies of Sublimation RPS Fartaria, FMSS Fernandes, FFM Freitas The Journal of Physical Chemistry B 106 (39), 10227-10232, 2002 | 26 | 2002 |
| Neural networks to approach potential energy surfaces: Application to a molecular dynamics simulation DARS Latino, FFM Freitas, J Aires‐De‐Sousa, FMS Silva Fernandes International Journal of Quantum Chemistry 107 (11), 2120-2132, 2007 | 24 | 2007 |
| Vapor-Liquid equilibrium and structure of methyl iodide liquid FFM Freitas, FMSS Fernandes, BJC Cabral The Journal of Physical Chemistry 99 (14), 5180-5186, 1995 | 23 | 1995 |
| Melting, freezing and nucleation in nanoclusters of potassium chloride: I-Molecular dynamics simulation PCR Rodrigues, FMS Silva Fernandes The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 2006 | 21* | 2006 |
| A study of 1-decanethiol self-assembly on gold electrodes by computer simulation RPS Fartaria, FFM Freitas, FMSS Fernandes Journal of Electroanalytical Chemistry 574 (2), 321-331, 2005 | 19 | 2005 |
| Molecular dynamics of phase transitions in clusters of alkali halides PCR Rodrigues, FMS Silva Fernandes International Journal of Quantum Chemistry 84 (2), 169-180, 2001 | 19 | 2001 |
| Modelling water adsorption on Au (2 1 0) surfaces: II. Monte Carlo simulations RS Neves, AJ Motheo, RPS Fartaria, FMSS Fernandes Journal of Electroanalytical Chemistry 612 (2), 179-185, 2008 | 17 | 2008 |
| Monte Carlo simulation of the adsorption of phenol on gold electrodes: a simple model RS Neves, AJ Motheo, F Fernandes, MS Silva, RPS Fartaria Journal of the Brazilian Chemical Society 15, 224-231, 2004 | 17 | 2004 |
| Phase Diagrams and Sublimation Enthalpies of Model Cn⩾60 Fullerenes: A Comparative Study by Computer Simulation FMS Silva Fernandes, FFM Freitas, RPS Fartaria The Journal of Physical Chemistry B 107 (1), 276-281, 2003 | 16 | 2003 |
| Hypervolumes in microcanonical Monte Carlo FMSS Fernandes, JPP Ramalho Computer physics communications 90 (1), 73-80, 1995 | 16 | 1995 |
| Computer simulation of liquid methyl chloride FF Martins Freitas, BJC Cabral, FMS Silva Fernandes The Journal of Physical Chemistry 97 (37), 9470-9477, 1993 | 16 | 1993 |
| Approach to potential energy surfaces by neural networks. A review of recent work DARS Latino, RPS Fartaria, FFM Freitas, J Aires‐De‐Sousa, ... International Journal of Quantum Chemistry 110 (2), 432-445, 2010 | 13 | 2010 |
| Vapor-liquid equilibrium of Argon. Simulation with nonadditive potentials SPJ Rodrigues, FMSS Fernandes The Journal of Physical Chemistry 98 (14), 3917-3920, 1994 | 13 | 1994 |
| Gibbs ensemble monte carlo FMS Silva Fernandes, RPS Fartaria American Journal of Physics 83 (9), 809-816, 2015 | 11 | 2015 |
