Emília Valença Ferreira de Aragão

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 12

Top Topics

Reduce The Computational Cost

Top Venues

ICCSA (Workshops 2)

Publications

Luca Mancini, Emília Valença Ferreira de Aragão, Fernando Pirani, Marzio Rosi, Noelia Faginas Lago, Daniela Ascenzi
Charge-Exchange Reaction: A Combined Semi-empirical and Quantum Chemical Study. ICCSA (4) (2024)
Luca Mancini, Emília Valença Ferreira de Aragão, Marzio Rosi
CHCN Reactions: Benchmark Analysis and Implications for Titan's Atmosphere. ICCSA (Workshops 2) (2023)
Noelia Faginas Lago, Emília Valença Ferreira de Aragão, Luca Mancini, Marzio Rosi, Daniela Ascenzi, Fernando Pirani
Coding Cross Sections of an Electron Charge Transfer Process: Analysis of Different Cuts for the Entrance and Exit Potentials. ICCSA (Workshops 8) (2023)
Luca Mancini, Marco Trinari, Emília Valença Ferreira de Aragão, Marzio Rosi, Nadia Balucani
) Reaction: Toward the Synthesis of Interstellar SiS. ICCSA (Workshops 2) (2022)
Emília Valença Ferreira de Aragão, Luca Mancini, Xiao He, Noelia Faginas Lago, Marzio Rosi, Daniela Ascenzi, Fernando Pirani
Coding Cross Sections of an Electron Charge Transfer Process. ICCSA (Workshops 6) (2022)
Luca Mancini, Emília Valença Ferreira de Aragão, Gianmarco Vanuzzo
D) and CN with Acrylonitrile and Implications for the Prebiotic Chemistry of Titan. ICCSA (Workshops 2) (2022)
Luca Mancini, Emília Valença Ferreira de Aragão
P) with Acrylonitrile. ICCSA (10) (2021)
Emília Valença Ferreira de Aragão, Luca Mancini, Noelia Faginas Lago, Marzio Rosi, Nadia Balucani, Fernando Pirani
N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential. ICCSA (10) (2021)
Andrea Lombardi, Luca Mancini, Emília Valença Ferreira de Aragão, Lisa Giani
+ OH Gas Phase Reaction: Formaldehyde and Acetaldehyde Formation Routes. ICCSA (5) (2021)
Emília Valença Ferreira de Aragão, Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost. ICCSA (7) (2020)
Luca Mancini, Emília Valença Ferreira de Aragão, Marzio Rosi, Dimitrios Skouteris, Nadia Balucani
D) with Small Alkynes and Implications for the Prebiotic Chemistry of Titan. ICCSA (3) (2020)
Emília Valença Ferreira de Aragão, Noelia Faginas Lago, Marzio Rosi, Luca Mancini, Nadia Balucani, Dimitrios Skouteris
A Computational Study of the Reaction Cyanoacetylene and Cyano Radical Leading to 2-Butynedinitrile and Hydrogen Radical. ICCSA (3) (2020)