Adria Gil Mestres
AuthID: R-004-SSB
21
TITLE: On the H2 interactions with transition metal adatoms supported on graphene: A systematic density functional study
AUTHORS: Manadé, M; Viñes, F; Gil, A; Illas, F;
PUBLISHED: 2018, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 20, ISSUE: 5
AUTHORS: Manadé, M; Viñes, F; Gil, A; Illas, F;
PUBLISHED: 2018, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 20, ISSUE: 5
INDEXED IN: 
Scopus
Scopus IN MY: 
ORCID
ORCID22
TITLE: A model of tetrahydrofuran low-temperature oxidation based on theoretically calculated rate constants
AUTHORS: Fenard, Y; Gil, A; Vanhove, G; Carstensen, HH; Van Geem, KM; Westmoreland, PR; Herbinet, O; Battin Leclerc, F;
PUBLISHED: 2018, SOURCE: COMBUSTION AND FLAME, VOLUME: 191
AUTHORS: Fenard, Y; Gil, A; Vanhove, G; Carstensen, HH; Van Geem, KM; Westmoreland, PR; Herbinet, O; Battin Leclerc, F;
PUBLISHED: 2018, SOURCE: COMBUSTION AND FLAME, VOLUME: 191
23
TITLE: On the H2interactions with transition metal adatoms supported on graphene: a systematic density functional study
AUTHORS: Montserrat Manadé; Francesc Viñes; Adrià Gil; Francesc Illas;
PUBLISHED: 2018, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 20, ISSUE: 5
AUTHORS: Montserrat Manadé; Francesc Viñes; Adrià Gil; Francesc Illas;
PUBLISHED: 2018, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 20, ISSUE: 5
24
TITLE: Electrochemical studies and potential anticancer activity in ferrocene derivatives Full Text
AUTHORS: Realista, S; Quintal, S; Martinho, PN; Melato, AI; Gil, A; Esteves, T; Carvalho, MD; Ferreira, LP; Vaz, PD; Calhorda, MJ;
PUBLISHED: 2017, SOURCE: JOURNAL OF COORDINATION CHEMISTRY, VOLUME: 70, ISSUE: 2
AUTHORS: Realista, S; Quintal, S; Martinho, PN; Melato, AI; Gil, A; Esteves, T; Carvalho, MD; Ferreira, LP; Vaz, PD; Calhorda, MJ;
PUBLISHED: 2017, SOURCE: JOURNAL OF COORDINATION CHEMISTRY, VOLUME: 70, ISSUE: 2
25
TITLE: Effects of oxygenation on the intercalation of 1,10-phenanthroline-5,6/4,7-dione between DNA base pairs: a computational study
AUTHORS: Galliot, A; Gil, A; Calhorda, MJ;
PUBLISHED: 2017, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 19, ISSUE: 25
AUTHORS: Galliot, A; Gil, A; Calhorda, MJ;
PUBLISHED: 2017, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 19, ISSUE: 25
26
TITLE: Comment on "Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics" by H. Isobe, K. Nakamura, S. Hitosugi, S. Sato, H. Tokoyama, H. Yamakado, K. Ohno and H. Kono, Chem. Sci., 2015, 6, 2746
AUTHORS: Enrique M Cabaleiro Lago; Jesus Rodriguez Otero; Adria Gil;
PUBLISHED: 2016, SOURCE: CHEMICAL SCIENCE, VOLUME: 7, ISSUE: 4
AUTHORS: Enrique M Cabaleiro Lago; Jesus Rodriguez Otero; Adria Gil;
PUBLISHED: 2016, SOURCE: CHEMICAL SCIENCE, VOLUME: 7, ISSUE: 4
INDEXED IN: Scopus 
WOS
Scopus WOS IN MY: ORCID
ORCID27
TITLE: A theoretical study of methylation and CH/pi interactions in DNA intercalation: methylated 1,10-phenanthroline in adenine-thymine base pairs
AUTHORS: Gil, A; Branchadell, V; Calhorda, MJ;
PUBLISHED: 2016, SOURCE: RSC ADVANCES, VOLUME: 6, ISSUE: 89
AUTHORS: Gil, A; Branchadell, V; Calhorda, MJ;
PUBLISHED: 2016, SOURCE: RSC ADVANCES, VOLUME: 6, ISSUE: 89
28
TITLE: Comment on “Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics” by H. Isobe, K. Nakamura, S. Hitosugi, S. Sato, H. Tokoyama, H. Yamakado, K. Ohno and H. Kono, Chem. Sci., 2015, 6 , 2746
AUTHORS: Enrique M Cabaleiro-Lago; Jesús Rodríguez-Otero; Adrià Gil;
PUBLISHED: 2016, SOURCE: Chem. Sci., VOLUME: 7, ISSUE: 4
AUTHORS: Enrique M Cabaleiro-Lago; Jesús Rodríguez-Otero; Adrià Gil;
PUBLISHED: 2016, SOURCE: Chem. Sci., VOLUME: 7, ISSUE: 4
29
TITLE: Self-Assembly of Uranyl–Peroxide Nanocapsules in Basic Peroxidic Environments
AUTHORS: Pere Miró; Bess Vlaisavljevich; Adria Gil; Peter C Burns; May Nyman; Carles Bo;
PUBLISHED: 2016, SOURCE: Chemistry - A European Journal, VOLUME: 22, ISSUE: 25
AUTHORS: Pere Miró; Bess Vlaisavljevich; Adria Gil; Peter C Burns; May Nyman; Carles Bo;
PUBLISHED: 2016, SOURCE: Chemistry - A European Journal, VOLUME: 22, ISSUE: 25
30
TITLE: Trends in the Hydrogen Activation and Storage by Adsorbed 3d Transition Metal Atoms onto Graphene and Nanotube Surfaces: A DFT Study and Molecular Orbital Analysis
AUTHORS: Hubert Valencia; Adria Gil; Gilles Frapper;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 10
AUTHORS: Hubert Valencia; Adria Gil; Gilles Frapper;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 10
