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Hydrogen storage capacity of Li-decorated borophene and pristine graphene slit pores: A combined ab initio and quantum-thermodynamic study

Vega Hierro, Andrés ; Cabria Álvaro, Iván ; Gallego del Hoyo, Luis Javier; Torres Cabrera, María Begoña; Lebon, Alexandre (2021)
Ab initio study of longitudinal and transverse dynamics, including fast sound, in molten UO2 and liquid Li–Pb alloys

González del Río, 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)
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)
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)