97 citations · 249 across the 9 of their papers we have counts for
9 papers
Helium Isotopes Quantum Sieving Through Graphtriyne Membranes
Marta I. Hernández, Massimiliano Bartolomei, José Campos-Martínez
We report accurate quantum calculations of the sieving of Helium atoms by two-dimensional (2D) graphtriyne layers with a new interaction potential. Thermal rate constants and perme…
Lithium ions solvated in helium
Monisha Rastogi, Christian Leidlmair, Lukas An der Lan +10
We report on a combined experimental and theoretical study of Li ions solvated by up to 50 He atoms. The experiments show clear enhanced abundances associated with HeLi…
Graphene Multi-Protonation: a Cooperative Mechanism for Proton Permeation
Massimiliano Bartolomei, Marta I. Hernández, José Campos-Martınez +1
The interaction between protons and graphene is attracting a large interest due to recent experiments showing that these charged species permeate through the 2D material following…
Examination of the Feynman-Hibbs Approach in the Study of Ne-Coronene Clusters at Low Temperatures
R. Rodríguez-Cantano, R. Pérez de Tudela, M. Bartolomei +6
Feynman-Hibbs (FH) effective potentials constitute an appealing approach for investigations of many-body systems at thermal equilibrium since they allow us to easily include quantu…
Global potential energy surface for the O2 + N2 interaction. Applications to the collisional, spectroscopic, and thermodynamic properties of the complex
Massimiliano Bartolomei, Estela Carmona-Novillo, Marta I. Hernádez +2
A detailed characterization of the interaction between the most abundant molecules in air is important for the understanding of a variety of phenomena in atmospherical science. A c…
The penetration barrier of water through graphynes' pores: first-principles predictions and force field optimization
Massimiliano Bartolomei, Estela Carmona-Novillo, Marta I. Hernández +4
Graphynes are novel two-dimensional carbon-based materials that -due to their nanoweb-like structure- have been proposed as molecular filters, especially for water purification tec…
Transmission properties in waveguides: An optical streamline analysis
A. S. Sanz, J. Campos-Martinez, S. Miret-Artes
A novel approach to study transmission through waveguides in terms of optical streamlines is presented. This theoretical framework combines the computational performance of beam pr…
The Molecular Oxygen Tetramer: Intermolecular Interactions and Implications for the Solid Phase
Massimiliano Bartolomei, Estela Carmona-Novillo, Marta I. Hernández +3
Recent data have determined that the structure of the high pressure phase of solid oxygen consists of clusters composed of four O molecules. This finding has opened the que…
Ultracold + collisions in a magnetic field: on the role of the potential energy surface
Jesús Pérez-Ríos, José Campos-Martínez, Marta I. Hernández
The collision dynamics of in the presence of a magnetic field is studied within the close-coupling formalism in the range between 10 nK and 5…