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Structural and electronic changes in the Ni13@Ag42 nanoparticle under surface oxidation: the role of silver coating

Aguilera del Toro, Rodrigo Humberto

; Aguilera Granja, Juan Faustino; Vega Hierro, Andrés

(2024)

Li-decorated BC3 nanopores: Promising materials for hydrogen storage

Cabria Álvaro, Iván

; Lebon, Alexandre; Torres Cabrera, María Begoña; Gallego del Hoyo, Luis Javier; Vega Hierro, Andrés

(2024)

Exploring the hydrogen and methane storage capacities of novel DUT MOFs at room temperature: A Grand Canonical Monte Carlo simulation study

Granja del Río, Alejandra

; Cabria Álvaro, Iván

(2023)

Ab initio study of longitudinal and transverse dynamics, including fast sound, in molten UO2 and liquid Li–Pb alloys

González Del Rio, Beatriz

; González Tesedo, Luis Enrique

(2023)

An ab initio study of the static, dynamic and electronic properties of some liquid 5d transition metals near melting

González Fernández, David José

; González Tesedo, Luis Enrique

(2023)

Grand canonical Monte Carlo simulations of the hydrogen and methane storage capacities of novel but MOFs at room temperature

Cabria Álvaro, Iván

(2023)

Grand Canonical Monte Carlo simulations of hydrogen and methane storage capacities of two novel Al-nia MOFs at room temperature

Granja del Río, Alejandra

; Cabria Álvaro, Iván

(2023)

First principles determination of static, dynamic and electronic properties of some liquid 4d transition metals near melting

González Tesedo, Luis Enrique

; González Fernández, David José

(2022)

Grand Canonical Monte Carlo simulations of the hydrogen storage capacities of slit-shaped pores, nanotubes and torusenes

Caviedes Velasco, David; Cabria Álvaro, Iván

(2022)

Ab initio study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure

Vega Hierro, Andrés

; Gallego del Hoyo, Luis Javier; Lebon, Alexandre; Álvarez Zapatero, Pablo

; Herrero, Andrés (2021)

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