José Luís Cagide Fagín


AuthID: R-000-8EV

Confirmed Publications: 56



21
TITLE: Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 31
INDEXED IN: Scopus WOS CrossRef: 104
IN MY: ORCID
22
23
TITLE: How reliable is the ReaxFF potential for describing the structure of alkanethiols on gold? A molecular dynamics study
AUTHORS: Velachi Vasumathi; José Luis Cagide Fajin ; Maria Natália Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: International Journal of Modeling, Simulation, and Scientific Computing, VOLUME: 5, ISSUE: supp01
INDEXED IN: Scopus CrossRef: 1
IN MY: ORCID
24
TITLE: A DFT study of the NO dissociation on gold surfaces doped with transition metals  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 138, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef: 9
IN MY: ORCID
25
TITLE: Density functional treatment of interactions and chemical reactions at interfaces
AUTHORS: Gomes, JRB; Fajin, JLC ; Cordeiro, MNDS ; Teixeira, C ; Paula Gomes ; Pillai, RS; Novell Leruth, G; Toda, J; Jorge, M;
PUBLISHED: 2013, SOURCE: Density Functional Theory: Principles, Applications and Analysis
INDEXED IN: Scopus
IN MY: ORCID
26
TITLE: DFT Study of the Adsorption of D(L-)Cysteine on Flat and Chiral Stepped Gold Surfaces  Full Text
AUTHORS: Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: LANGMUIR, VOLUME: 29, ISSUE: 28
INDEXED IN: Scopus WOS CrossRef: 49
IN MY: ORCID
27
28
TITLE: Electrochemical Oxidation of Tamoxifen Revisited  Full Text
AUTHORS: Garrido, JMPJ ; Quezada, E ; Fajin, JLC ; Cordeiro, MNDS ; Garrido, EMPJ ; Borges, F ;
PUBLISHED: 2013, SOURCE: INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, VOLUME: 8, ISSUE: 4
INDEXED IN: Scopus WOS
IN MY: ORCID
29
TITLE: Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles  Full Text
AUTHORS: Jose L C Fajin ; Albert Bruix; Maria Natalia D S Cordeiro ; Jose R B Gomes ; Francesc Illas;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 137, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 55
IN MY: ORCID
30
TITLE: Ionic and radical adsorption on the Au(hkl) surfaces: A DFT study  Full Text
AUTHORS: Ana M Pessoa ; Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: SURFACE SCIENCE, VOLUME: 606, ISSUE: 1-2
INDEXED IN: Scopus WOS CrossRef: 28
IN MY: ORCID
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