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1

Density minimum in the isotropic–nematic transition of hard cut-spheres

Rui P.S. Fartaria, Martin B. Sweatman

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 495 KB

english, 2009

2

A study of 1-decanethiol self-assembly on gold electrodes by computer simulation

Rui P.S. Fartaria, Filomena F.M. Freitas, Fernando M.S. Silva Fernandes

Journal:

Journal of Electroanalytical Chemistry

Year:

2005

Language:

english

File:

PDF, 552 KB

english, 2005

3

Mapping Potential Energy Surfaces by Neural Networks: The ethanol/Au(1 1 1) interface

Diogo A.R.S. Latino, Rui P.S. Fartaria, Filomena F.M. Freitas, João Aires-de-Sousa, Fernando M.S. Silva Fernandes

Journal:

Journal of Electroanalytical Chemistry

Year:

2008

Language:

english

File:

PDF, 1.00 MB

english, 2008

4

Erratum: Phase behavior of C60 by computer simulation using ab-initio interaction potential

Rui P. S. Fartaria, Fernando M. S. Silva Fernandes, Filomena F. M. Freitas, Pedro C. R. Rodrigues

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 33 KB

english, 2002

5

Phase behavior of C60 by computer simulation using ab-initio interaction potential

Rui P. S. Fartaria, Fernando M. S. Silva Fernandes, Filomena F. M. Freitas, Pedro C. R. Rodrigues

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 393 KB

english, 2001

6

Prediction of reactive sites for the electropolymerization of p-benzenesulfonic acid derivatives: Ab initio and experimental study

Catarina Nabais, Rui P. S. Fartaria, Fernando M. S. Silva Fernandes, Luísa M. Abrantes

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 2.18 MB

english, 2004

7

A force field for simulating ethanol adsorption on Au(111) surfaces. A DFT study

Rui P. S. Fartaria, Filomena F. M. Freitas, Fernando M. S. Silva Fernandes

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 661 KB

english, 2007

8

Approach to potential energy surfaces by neural networks. A review of recent work

Diogo A. R. S. Latino, Rui P. S. Fartaria, Filomena F. M. Freitas, João Aires-De-Sousa, Fernando M. S. Silva Fernandes

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 512 KB

english, 2010

9

Models for the adsorption and self-assembly of ethanol and 1-decanethiol on Au(111) surfaces. A comparative study by computer simulation

Rui P. S. Fartaria, Filomena F. M. Freitas, Fernando M. S. Silva Fernandes

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 649 KB

english, 2010

10

A time saving algorithm for the Monte Carlo method of Metropolis

Rui P.S. Fartaria, Rodrigo S. Neves, Pedro C.R. Rodrigues, Filomena F.M. Freitas, Fernando M.S. Silva Fernandes

Journal:

Computer Physics Communications

Year:

2006

Language:

english

File:

PDF, 345 KB

english, 2006

11

Erratum to “A time saving algorithm for the Monte Carlo method of Metropolis” [Computer Physics Communications 175 (2006) 116–121]

Rui P.S. Fartaria, Rodrigo S. Neves, Pedro C.R. Rodrigues, Filomena F.M. Freitas, Fernando M.S. Silva Fernandes

Journal:

Computer Physics Communications

Year:

2007

Language:

english

File:

PDF, 71 KB

english, 2007

12

Modelling water adsorption on Au(2 1 0) surfaces. I. A force field for water–Au interactions by DFT

Rodrigo S. Neves, Artur J. Motheo, Rui P.S. Fartaria, Fernando M.S. Silva Fernandes

Journal:

Journal of Electroanalytical Chemistry

Year:

2007

Language:

english

File:

PDF, 501 KB

english, 2007

13

Modelling water adsorption on Au(2 1 0) surfaces: II. Monte Carlo simulations

Rodrigo S. Neves, Artur J. Motheo, Rui P.S. Fartaria, Fernando M.S. Silva Fernandes

Journal:

Journal of Electroanalytical Chemistry

Year:

2008

Language:

english

File:

PDF, 701 KB

english, 2008

14

The starting state in simulations of the fluid–solid coexistence by Gibbs–Duhem integration

Fernando M.S. Silva Fernandes, Rui P.S. Fartaria, Filomena F.M. Freitas

Journal:

Computer Physics Communications

Year:

2001

Language:

english

File:

PDF, 217 KB

english, 2001

15

Simulation of scattering and phase behavior around the isotropic–nematic transition of discotic particles

Rui P.S. Fartaria, Nadeem Javid, Jan Sefcik, Martin B. Sweatman

Journal:

Journal of Colloid and Interface Science

Year:

2012

Language:

english

File:

PDF, 963 KB

english, 2012

16

NavMol 2.0 - A Molecular Structure Navigator/Editor for Blind and Visually Impaired Users

Fartaria, Rui P. S., Pereira, Florbela, Bonifácio, Vasco D. B., Mata, Paulina, Aires-de-Sousa, João, Lobo, Ana M.

Journal:

European Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 279 KB

english, 2013

17

Phase Diagrams and Sublimation Enthalpies of Model C n ⩾60 Fullerenes: A Comparative Study by Computer Simulation

Silva Fernandes, Fernando M. S., Freitas, Filomena F. M., Fartaria, Rui P. S.

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 114 KB

english, 2003

18

Sonified Infrared Spectra and Their Interpretation by Blind and Visually Impaired Students

Pereira, Florbela, Ponte-e-Sousa, João C., Fartaria, Rui P. S., Bonifácio, Vasco D. B., Mata, Paulina, Aires-de-Sousa, Joao, Lobo, Ana M.

Journal:

Journal of Chemical Education

Year:

2013

Language:

english

File:

PDF, 231 KB

english, 2013

19

Correction to Sonified Infrared Spectra and Their Interpretation by Blind and Visually Impaired Students

Pereira, Florbela, Ponte-e-Sousa, João C., Fartaria, Rui P. S., Bonifácio, Vasco D. B., Mata, Paulina, Aires-de-Sousa, Joao, Lobo, Ana M.

Journal:

Journal of Chemical Education

Year:

2013

Language:

english

File:

PDF, 245 KB

english, 2013

20

Cluster formation in fluids with competing short-range and long-range interactions

Sweatman, Martin B., Fartaria, Rui, Lue, Leo

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.29 MB

english, 2014

21

Phase Diagram and Sublimation Enthalpies of Model C 60 Revisited

Silva Fernandes, Fernando M. S., Freitas, Filomena F. M., Fartaria, Rui P. S.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 78 KB

english, 2004

22

Monte Carlo Simulation of the Phase Diagram of C 60 Using Two Interaction Potentials. Enthalpies of Sublimation

Fartaria, Rui P. S., Fernandes, Fernando M. S. Silva, Freitas, Filomena F. M.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 94 KB

english, 2002

23

Molecular dynamics simulations for the prediction of the dielectric spectra of alcohols, glycols and monoethanolamine

Cardona, Javier, Fartaria, Rui, Sweatman, Martin B., Lue, Leo

Journal:

Molecular Simulation

Year:

2015

Language:

english

File:

PDF, 1.60 MB

english, 2015