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Now showing items 1-10 of 41

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Uncovering the magnetic properties of the AgxNiy (x + y = 55) nanoalloys in the whole composition range

Aguilera del Toro, Rodrigo Humberto

; Alvarado Leyva, Pedro Gilberto; Vega Hierro, Andrés

(2019)

Li-decorated Pmmn8 phase of borophene for hydrogen storage. A van der Waals corrected density-functional theory study

Lebon, Alexandre; Aguilera del Toro, Rodrigo Humberto

; Gallego, Luis Javier; Vega Hierro, Andrés

(2019)

Water adsorption and dissociation on gold catalysts supported on anatase-TiO2(101)

Valdés, Haydée; Molina Martín, Luis Miguel

; Alonso Martín, Julio Alfonso

(2019)

Hydrogen quenches the size effects in carbon clusters

Martínez, Jose Luís; Alonso Martín, Julio Alfonso

(2019)

Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres

Cabria Álvaro, Iván

(2019)

Tunable gap in stable arsenene nanoribbons opens the door to electronic applications

García Fuente, Amador; Carrete, J.; Vega Hierro, Andrés

; Gallego, Luis Javier (2019)

Simulations of volumetric hydrogen storage capacities of nanoporous carbons: Effect of dispersion interactions as a function of pressure, temperature and pore width

Cabria Álvaro, Iván

(2019)

Computational Characterisation of Structure and Metallicity in Small Neutral and Singly-Charged Cadmium Clusters

Álvarez Zapatero, Pablo

; Aguado Rodríguez, Andrés

(2019)

Study of odd–even effects in physisorption and chemisorption of Ar, N2, O2 and NO on open shell Ag11–13+ clusters by means of self-consistent van der Waals density functional calculations

Fernández, Eva M; Balbás Ruesgas, Luis Carlos (2019)

Hydrogen Chemisorption on Doubly Vanadium Doped Aluminum Clusters

Vanbuel, Jan; Fernández, Eva M; Jia, Mei-ye; Ferrari, Piero; Schöllkopf, Wieland; Balbás Ruesgas, Luis Carlos; Nguyen, Minh Tho; Fielicke, André; Janssens, Ewald (2019)

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