Models for the Adsorption and Self-Assembly of Ethanol and 1-Decanethiol on Au(111) Surfaces. A Comparative Study by Computer Simulation
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 110, 293-306
2 2010
F Freitas , Rui P. S. Fartaria , Fernando M S Silva Fernandes
Approach to Potential Energy Surfaces by Neural Networks. A Review of Recent Work
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 110, 432-445
2 2010
Diogo A. R. S. Latino , Rui P. S. Fartaria , F Freitas , Joao Aires-de-Sousa , Fernando M S Silva Fernandes
Mapping Potential Energy Surfaces by Neural Networks: The ethanol/Au(111) interface
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 624, 109-120
12 2008
Diogo A. R. S. Latino , Rui P. S. Fartaria , F Freitas , Joao Aires-de-Sousa , Fernando M S Silva Fernandes
A force field for simulating ethanol adsorption on Au(111) surfaces. A DFT study
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 107, 2169-2177
9 2007
Rui P. S. Fartaria , F Freitas , Fernando M S Silva Fernandes
Neural networks to approach potential energy surfaces: Application to a molecular dynamics simulation
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 107, 2120-2132
9 2007
Diogo A. R. S. Latino , F Freitas , Joao Aires-de-Sousa , Fernando M S Silva Fernandes
A time saving algorithm for the Monte Carlo method of Metropolis
COMPUTER PHYSICS COMMUNICATIONS, 175, 116-121
7 2006
Rui P. S. Fartaria , Rodrigo S. Neves , P Rodrigues , F Freitas , Fernando M S Silva Fernandes
A study of 1-decanethiol self-assembly on gold electrodes by computer simulation
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 574, 321-331
1 2005
RPS Fartaria , F Freitas , Fernando M S Silva Fernandes
Phase diagram and sublimation enthalpies of model C-60 revisited
JOURNAL OF PHYSICAL CHEMISTRY B, 108, 9251-9255
7 2004
Fernando M S Silva Fernandes , F Freitas , RPS Fartaria
Phase diagrams and sublimation enthalpies of model C-n >= 60 fullerenes: A comparative study by computer simulation
JOURNAL OF PHYSICAL CHEMISTRY B, 107, 276-281
1 2003
Fernando M S Silva Fernandes , F Freitas , RPS Fartaria
Monte Carlo simulation of the phase diagram of C-60 using two interaction potentials. Enthalpies of sublimation
JOURNAL OF PHYSICAL CHEMISTRY B, 106, 10227-10232
10 2002
RPS Fartaria , Fernando M S Silva Fernandes , F Freitas
Phase Behavior of C-60 by computer simulation using ab-initio interaction potential (vol 84, pg 375, 2001)
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 88, 355
6 2002
RPS Fartaria , Fernando M S Silva Fernandes , F Freitas , PCR Rodrigues
The starting state in simulations of the fluid-solid coexistence by Gibbs-Duhem integration
COMPUTER PHYSICS COMMUNICATIONS, 141, 403-411
12 2001
Fernando M S Silva Fernandes , RPS Fartaria , F Freitas
Phase behavior of C-60 by computer simulation using ab-initio interaction potential
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 84, 375-387
8 2001
RPS Fartaria , Fernando M S Silva Fernandes , F Freitas , PCR Rodrigues
The hypervolume Monte Carlo method at constant pressure applied to liquid methyl chloride
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 463, 157-161
4 1999
F Freitas , Fernando M S Silva Fernandes
Hypervolume Monte Carlo method at constant pressure
COMPUTER PHYSICS COMMUNICATIONS, 102, 161-165
5 1997
Fernando M S Silva Fernandes , F Freitas
High dimensional geometry in statistical mechanics. A new microcanonical sampling method
PURE AND APPLIED CHEMISTRY, 68, 1509-1514
8 1996
Fernando M S Silva Fernandes , JPP Ramalho , F Freitas
VAPOR-LIQUID-EQUILIBRIUM AND STRUCTURE OF METHYL-IODIDE LIQUID
JOURNAL OF PHYSICAL CHEMISTRY, 99, 5180-5186
4 1995
F Freitas , Fernando M S Silva Fernandes , BJC Cabral
COMPUTER-SIMULATION OF LIQUID METHYL-CHLORIDE
JOURNAL OF PHYSICAL CHEMISTRY, 97, 9470-9477
9 1993
F Freitas , BJC Cabral , Fernando M S Silva Fernandes