121
TITLE: Gas-phase thermodynamic properties of dichlorophenols determined from density functional theory calculations
AUTHORS: Gomes, JRB ; da Silva, MAVR ;
PUBLISHED: 2003, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 107, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 25
123
TITLE: Thermochemical and structural studies of Cu(II) and Ni(II) complexes with N,N-diethyl-N '-pivaloylthiourea  Full Text
AUTHORS: da Silva, MAVR ; Maria D. M. C. Ribeiro da Silva ; da Silva, LCM; Gomes, JRB ; Damas, AM ; Dietze, F; Hoyer, E;
PUBLISHED: 2003, SOURCE: INORGANICA CHIMICA ACTA, VOLUME: 356
INDEXED IN: Scopus WOS CrossRef: 11
124
TITLE: Interaction of Pd with alpha-Al2O3(0001): A case study of modeling the metal-oxide interface on complex substrates
AUTHORS: Gomes, JRB ; Illas, F; Hernandez, NC; Marquez, A; Sanz, JF;
PUBLISHED: 2002, SOURCE: PHYSICAL REVIEW B, VOLUME: 65, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef: 44
125
TITLE: Surface model and exchange-correlation functional effects on the description of Pd/alpha-Al2O3(0001)  Full Text
AUTHORS: Gomes, JRB ; Illas, F; Hernandez, NC; Sanz, JF; Wander, A; Harrison, NM;
PUBLISHED: 2002, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 116, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 40
126
TITLE: A DFT study of the methanol oxidation catalyzed by a copper surface  Full Text
AUTHORS: Gomes, JRB ; Gomes, JANF ;
PUBLISHED: 2001, SOURCE: SURFACE SCIENCE, VOLUME: 471, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 69
127
TITLE: First-principles study of the adsorption of formaldehyde on the clean and atomic oxygen covered Cu(111) surface  Full Text
AUTHORS: Gomes, JRB ; Gomes, JANF ; Illas, F;
PUBLISHED: 2001, SOURCE: JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, VOLUME: 170, ISSUE: 1-2
INDEXED IN: Scopus WOS CrossRef: 39
128
TITLE: The adsorption of methyl nitrite on the Au(111) surface  Full Text
AUTHORS: Gomes, JRB ; Illas, F;
PUBLISHED: 2001, SOURCE: CATALYSIS LETTERS, VOLUME: 71, ISSUE: 1-2
INDEXED IN: Scopus WOS CrossRef: 9
129
TITLE: The adsorption of nitromethane on the Au (111) surface
AUTHORS: Gomes, JRB ; Illas, F;
PUBLISHED: 2001, SOURCE: International Journal of Molecular Sciences, VOLUME: 2, ISSUE: 5
INDEXED IN: Scopus
IN MY: ORCID
130
TITLE: The structural relaxation of the alpha-Al2O3(0001) - an investigation of potential errors  Full Text
AUTHORS: Gomes, JRB ; Moreira, IDR; Reinhardt, P; Wander, A; Searle, BG; Harrison, NM; Illas, F;
PUBLISHED: 2001, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 341, ISSUE: 5-6
INDEXED IN: Scopus WOS CrossRef: 46
Page 13 of 14. Total results: 137.