José Luís Cagide Fagín


AuthID: R-000-8EV

Confirmed Publications: 60



41
TITLE: Cluster and periodic DFT calculations of adsorption of hydroxyl on the Au(h k l) surfaces  Full Text
AUTHORS: Ana M Pessoa ; Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 28
IN MY: ORCID
42
TITLE: Descriptors controlling the catalytic activity of metallic surfaces toward water splitting  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 276, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 84
IN MY: ORCID
43
TITLE: DFT study on the reaction of NO oxidation on a stepped gold surface  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: APPLIED CATALYSIS A-GENERAL, VOLUME: 379, ISSUE: 1-2
INDEXED IN: Scopus WOS CrossRef: 27
IN MY: ORCID
44
TITLE: Water adsorption and dissociation on the Au(321) stepped surface  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
45
TITLE: Effect of the exchange-correlation potential and of surface relaxation on the description of the H2O dissociation on Cu(111)  Full Text
AUTHORS: Jose L C Fajin ; Francesc Illas; Jose R B Gomes ;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 130, ISSUE: 22
INDEXED IN: Scopus WOS CrossRef: 81
IN MY: ORCID
46
47
TITLE: The Role of Preadsorbed Atomic Hydrogen in the NO Dissociation on a Zigzag Stepped Gold Surface: A DFT Study
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 113, ISSUE: 20
INDEXED IN: Scopus WOS CrossRef: 37
IN MY: ORCID
48
TITLE: Desirability-Based Methods of Multiobjective Optimization and Ranking for Global QSAR Studies. Filtering Safe and Potent Drug Candidates from Combinatorial Libraries
AUTHORS: Maykel Cruz Monteagudo ; Fernanda Borges ; Natalia N D S Cordeiro ; Luis L C Cagide Fajin ; Carlos Morell; Reinaldo M Molina Ruiz; Yudith Canizares Carmenate; Elena R Rosa Dominguez;
PUBLISHED: 2008, SOURCE: JOURNAL OF COMBINATORIAL CHEMISTRY, VOLUME: 10, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 36
IN MY: ORCID
49
TITLE: DFT study of the Au(321) surface reconstruction by consecutive deposition of oxygen atoms  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2008, SOURCE: SURFACE SCIENCE, VOLUME: 602, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 22
IN MY: ORCID
50
TITLE: DFT Study of the CO Oxidation on the Au(321) Surface
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 112, ISSUE: 44
INDEXED IN: Scopus WOS CrossRef: 62
IN MY: ORCID
Página 5 de 6. Total de resultados: 60.

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