Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost. - Emília Valença Ferreira de Aragão; Noelia Faginas Lago; Yusuf Bramastya Apriliyanto; Andrea Lombardi (ICCSA (7), 2020)

A Computational Study of the Reaction Cyanoacetylene and Cyano Radical Leading to 2-Butynedinitrile and Hydrogen Radical. - Emília Valença Ferreira de Aragão; Noelia Faginas Lago; Marzio Rosi; Luca Mancini; Nadia Balucani; Dimitrios Skouteris (ICCSA (3), 2020)

A Theoretical Investigation of the Reactions of N(2D) with Small Alkynes and Implications for the Prebiotic Chemistry of Titan. - Luca Mancini; Emília Valença Ferreira de Aragão; Marzio Rosi; Dimitrios Skouteris; Nadia Balucani (ICCSA (3), 2020)

Long-Range Complex in the HC3N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential. - Emília Valença Ferreira de Aragão; Luca Mancini; Noelia Faginas Lago; Marzio Rosi; Nadia Balucani; Fernando Pirani (ICCSA (10), 2021)

The CH2CH2 + OH Gas Phase Reaction: Formaldehyde and Acetaldehyde Formation Routes. - Andrea Lombardi; Luca Mancini; Emília Valença Ferreira de Aragão; Lisa Giani (ICCSA (5), 2021)

A Computational Analysis of the Reaction of Atomic Oxygen O(3P) with Acrylonitrile. - Luca Mancini; Emília Valença Ferreira de Aragão (ICCSA (10), 2021)

Coding Cross Sections of an Electron Charge Transfer Process. - Emília Valença Ferreira de Aragão; Luca Mancini; Xiao He; Noelia Faginas Lago; Marzio Rosi; Daniela Ascenzi; Fernando Pirani (ICCSA (Workshops 6), 2022)

A Theoretical Investigation of the Reactions of N(2D) and CN with Acrylonitrile and Implications for the Prebiotic Chemistry of Titan. - Luca Mancini; Emília Valença Ferreira de Aragão; Gianmarco Vanuzzo (ICCSA (Workshops 2), 2022)

The S+(4S)+SiH2(1A1) Reaction: Toward the Synthesis of Interstellar SiS. - Luca Mancini; Marco Trinari; Emília Valença Ferreira de Aragão; Marzio Rosi; Nadia Balucani (ICCSA (Workshops 2), 2022)

Coding Cross Sections of an Electron Charge Transfer Process: Analysis of Different Cuts for the Entrance and Exit Potentials. - Noelia Faginas Lago; Emília Valença Ferreira de Aragão; Luca Mancini; Marzio Rosi; Daniela Ascenzi; Fernando Pirani (ICCSA (Workshops 8), 2023)

Computational Investigation of the N(2D)+ C2H4 and N(2D)+ CH2CHCN Reactions: Benchmark Analysis and Implications for Titan's Atmosphere. - Luca Mancini; Emília Valença Ferreira de Aragão; Marzio Rosi (ICCSA (Workshops 2), 2023)

The rmHe+. + rmCH3rmCN Charge-Exchange Reaction: A Combined Semi-empirical and Quantum Chemical Study. - Luca Mancini; Emília Valença Ferreira de Aragão; Fernando Pirani; Marzio Rosi; Noelia Faginas Lago; Daniela Ascenzi (ICCSA (4), 2024)