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TITLE: Modelling water adsorption on Au(210) surfaces: II. Monte Carlo simulations  Full Text
AUTHORS: Rodrigo S Neves; Artur J Motheo; Rui P S Fartaria; Fernando Silva S S Fernandes ;
PUBLISHED: 2008, SOURCE: JOURNAL OF ELECTROANALYTICAL CHEMISTRY, VOLUME: 612, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
12
TITLE: A force field for simulating ethanol adsorption on Au(111) surfaces. A DFT study  Full Text
AUTHORS: Rui P S Fartaria; Filomena F M Freitas; Fernando Silva S S Fernandes ;
PUBLISHED: 2007, SOURCE: 6th European Conference on Computational Chemistry in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 107, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
13
TITLE: A time saving algorithm for the Monte Carlo method of Metropolis (vol 175, pg 116, 2006)  Full Text
AUTHORS: Rui P S Fartaria; Rodrigo S Neves; Pedro C R Rodrigues ; Filornena F M Freitas; Fernando M S S Silva Fernandes ;
PUBLISHED: 2007, SOURCE: COMPUTER PHYSICS COMMUNICATIONS, VOLUME: 176, ISSUE: 3
INDEXED IN: Scopus WOS
IN MY: ORCID
14
TITLE: Cubic and hexagonal symmetries in LiCl nanoclusters  Full Text
AUTHORS: Rodrigues, PCR ; Silva Fernandes, FMS ;
PUBLISHED: 2007, SOURCE: EUROPEAN PHYSICAL JOURNAL D, VOLUME: 44, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
15
TITLE: Melting, freezing and nucleation in nanoclusters of potassium chloride. II Modelling the solid-liquid coexistence  Full Text
AUTHORS: Rodrigues, PCR ; Silva Fernandes, FMSS ;
PUBLISHED: 2007, SOURCE: EUROPEAN PHYSICAL JOURNAL D, VOLUME: 41, ISSUE: 1
INDEXED IN: Scopus WOS
IN MY: ORCID
16
TITLE: Modelling water adsorption on Au(210) surfaces. I. A force field for water - Au interactions by DFT  Full Text
AUTHORS: Rodrigo S Neves; Artur J Motheo; Rui P S Fartaria; Fernando Silva S S Fernandes ;
PUBLISHED: 2007, SOURCE: JOURNAL OF ELECTROANALYTICAL CHEMISTRY, VOLUME: 609, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
17
TITLE: Neural networks to approach potential energy surfaces: Application to a molecular dynamics simulation  Full Text
AUTHORS: Diogo A R S Latino ; Filomena F M Freitas; Joao Aires De Sousa ; Fernando Silva S S Fernandes ;
PUBLISHED: 2007, SOURCE: 6th European Conference on Computational Chemistry in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 107, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
18
TITLE: Phase diagrams of alkali halides using two interaction models: A molecular dynamics and free energy study  Full Text
AUTHORS: Pedro C R Rodrigues ; Fernando Silva S S Fernandes ;
PUBLISHED: 2007, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 126, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
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TITLE: Progress in the understanding of tyramine electropolymerisation mechanism  Full Text
AUTHORS: Tenreiro, AM ; Nabais, C; Correia, JP ; Fernandes, FMSS ; Romero, JR; Abrantes, LM;
PUBLISHED: 2007, SOURCE: International Workshop on Electrochemistry of Electroactive Materials ( WEEM-2006) in JOURNAL OF SOLID STATE ELECTROCHEMISTRY, VOLUME: 11, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
20
TITLE: A time saving algorithm for the Monte Carlo method of Metropolis  Full Text
AUTHORS: Rui P S Fartaria; Rodrigo S Neves; Pedro C R Rodrigues ; Filomena F M Freitas; Fernando M S S Silva Fernandes ;
PUBLISHED: 2006, SOURCE: COMPUTER PHYSICS COMMUNICATIONS, VOLUME: 175, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
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