José Luís Cagide Fagín


AuthID: R-000-8EV

Confirmed Publications: 56



41
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
42
43
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
44
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
45
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
46
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
47
TITLE: Adsorption of atomic and molecular oxygen on the au(321) surface: DFT study
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 111, ISSUE: 46
INDEXED IN: Scopus WOS CrossRef: 62
IN MY: ORCID
48
TITLE: Rotational structure of small He-4 clusters seeded with HF, HCl, and HBr molecules
AUTHORS: Jordan A Ramilowski; Aleksandra A Mikosz; David Farrelly; Jos Luis C Cagide Fajin ; Berta Fernandez;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 49
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
49
TITLE: The fluorobenzene-argon S-1 excited-state intermolecular potential energy surface
AUTHORS: Jose Luis Cagide Fajin ; Silvia Bouzon Capelo; Berta Fernandez; Peter M Felker;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 32
INDEXED IN: Scopus WOS
50
TITLE: The p -Difluorobenzene−Argon S 1 Excited State Intermolecular Potential Energy Surface
AUTHORS: José Luis Cagide Fajín ; Berta Fernández; Peter M Felker;
PUBLISHED: 2006, SOURCE: J. Phys. Chem. A - The Journal of Physical Chemistry A, VOLUME: 110, ISSUE: 49
INDEXED IN: CrossRef: 7
IN MY: ORCID
Page 5 of 6. Total results: 56.

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