José Luís Cagide Fagín


AuthID: R-000-8EV

Confirmed Publications: 60



21
TITLE: Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold
AUTHORS: José L C Fajín ; Filipe Teixeira; José R B Gomes; Natália N D S Cordeiro;
PUBLISHED: 2015, SOURCE: 9th Congress on Electronic Structure: Principles and Applications (ESPA 2014)
INDEXED IN: CrossRef
22
TITLE: Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold  Full Text
AUTHORS: Jose L C Fajin ; Filipe Teixeira ; Jose R B Gomes; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 134, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 16
IN MY: ORCID
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24
TITLE: Mechanistic Study of Carbon Monoxide Methanation over Pure and Rhodium- or Ruthenium-Doped Nickel Catalysts
AUTHORS: Jose L C Fajin ; Jose R B Gomes; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 29
INDEXED IN: Scopus WOS CrossRef: 42
IN MY: ORCID
25
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
26
27
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
28
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
29
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
30
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
Página 3 de 6. Total de resultados: 60.

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