José Luís Cagide Fagín


AuthID: R-000-8EV

Confirmed Publications: 56



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TITLE: Water dissociation on multimetallic catalysts  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes;
PUBLISHED: 2017, SOURCE: APPLIED CATALYSIS B-ENVIRONMENTAL, VOLUME: 218
INDEXED IN: Scopus WOS CrossRef: 14
IN MY: ORCID
13
TITLE: A computational study of the interaction of graphene structures with biomolecular units  Full Text
AUTHORS: Diego L Lopez Carballeira; Nicolas Ramos Berdullas; Ignacio Perez Juste; Jose Luis C Cagide Fajin ; Natalia N D S Cordeiro ; Marcos Mandado;
PUBLISHED: 2016, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 18, ISSUE: 22
INDEXED IN: Scopus WOS CrossRef: 17
IN MY: ORCID
14
TITLE: Effect of the Exchange-Correlation Potential on the Transferability of Bronsted-Evans-Polanyi Relationships in Heterogeneous Catalysis  Full Text
AUTHORS: Jose L C Fajin ; Francesc Vines; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes;
PUBLISHED: 2016, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 12, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 20
IN MY: ORCID
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TITLE: Competitive Paths for Methanol Decomposition on Ruthenium: A DFT Study
AUTHORS: Ana S Moura ; Jose L C Fajin ; Ana S S Pinto; Marcos Mandado; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 49
INDEXED IN: Scopus WOS CrossRef: 24
IN MY: ORCID
17
TITLE: Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold  Full Text
AUTHORS: Fajin, JLC ; Teixeira, F ; Gomes, JRB; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 134, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
18
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
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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
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