Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones

por Apriliyanto, Yusuf Bramastya, Battaglia, Stefano, Evangelisti, Stefano, Faginas-Lago, Noelia, Leininger, Thierry, Lombardi, Andrea
Publicado 2021

Molecular Dynamics of CH(4)/N(2) Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study

por Vekeman, Jelle, Faginas-Lago, Noelia, Lombardi, Andrea, Sánchez de Merás, Alfredo, García Cuesta, Inmaculada, Rosi, Marzio
Publicado 2019

Semiempirical Potential in Kinetics Calculations on the HC(3)N + CN Reaction

por Valença Ferreira de Aragão, Emília, Mancini, Luca, Faginas-Lago, Noelia, Rosi, Marzio, Skouteris, Dimitrios, Pirani, Fernando
Publicado 2022

An Experimental and Theoretical Investigation of 1-Butanol Pyrolysis

por Rosi, Marzio, Skouteris, Dimitris, Balucani, Nadia, Nappi, Caterina, Faginas Lago, Noelia, Pacifici, Leonardo, Falcinelli, Stefano, Stranges, Domenico
Publicado 2019

Multilayer Graphtriyne Membranes for Separation and Storage of CO(2): Molecular Dynamics Simulations of Post-Combustion Model Mixtures

por Apriliyanto, Yusuf Bramastya, Faginas-Lago, Noelia, Evangelisti, Stefano, Bartolomei, Massimiliano, Leininger, Thierry, Pirani, Fernando, Pacifici, Leonardo, Lombardi, Andrea
Publicado 2022

Grand Canonical Monte Carlo Simulations to Determine the Optimal Interlayer Distance of a Graphene Slit-Shaped Pore for Adsorption of Methane, Hydrogen and their Equimolar Mixture

por Vekeman, Jelle, Bahamon, Daniel, García Cuesta, Inmaculada, Faginas-Lago, Noelia, Sánchez-Marín, José, Sánchez de Merás, Alfredo, Vega, Lourdes F.
Publicado 2021

OH((2)Π) + C(2)H(4) Reaction: A Combined Crossed Molecular Beam and Theoretical Study

por Liang, Pengxiao, de Aragão, Emília Valença Ferreira, Giani, Lisa, Mancini, Luca, Pannacci, Giacomo, Marchione, Demian, Vanuzzo, Gianmarco, Faginas-Lago, Noelia, Rosi, Marzio, Skouteris, Dimitrios, Casavecchia, Piergiorgio, Balucani, Nadia
Publicado 2023