Gas-phase detection of the HBCC (X1) molecule: a combined crossed beam and computational study of the B(2P)+C2H2(1g+) reaction . - Nadia Balucani; O. Asvany; Y. T. Lee; Ralf I. Kaiser; Nicolas Galland; M. T. Rayez; Y. Hannachi (J. Comput. Chem., 2001)

An Extension of the Molecular Simulator GEMS to Calculate the Signal of Crossed Beam Experiments. - Antonio Laganà; Nadia Balucani; Stefano Crocchianti; Piergiorgio Casavecchia; Ernesto Garcia; Amaia Saracibar (ICCSA (3), 2011)

An Extensive Theoretical Study for the CN + C2H4 Reaction. - Alessandra F. Albernaz; Ricardo Gargano; Patrícia R. P. Barreto; Nadia Balucani (ICCSA Workshops, 2012)

Theoretical Study of Reactions Relevant for Atmospheric Models of Titan: Interaction of Excited Nitrogen Atoms with Small Hydrocarbons. - Marzio Rosi; Stefano Falcinelli; Nadia Balucani; Piergiorgio Casavecchia; Francesca Leonori; Dimitris Skouteris (ICCSA (1), 2012)

A Theoretical Study of Formation Routes and Dimerization of Methanimine and Implications for the Aerosols Formation in the Upper Atmosphere of Titan. - Marzio Rosi; Stefano Falcinelli; Nadia Balucani; Piergiorgio Casavecchia; Dimitris Skouteris (ICCSA (1), 2013)

The Escape Probability of Some Ions from Mars and Titan Ionospheres. - Stefano Falcinelli; Marzio Rosi; Pietro Candori; Franco Vecchiocattivi; James M. Farrar; Fernando Pirani; Nadia Balucani; Michele Alagia; Robert Richter; Stefano Stranges (ICCSA (1), 2014)

Angular Distributions of Fragment Ions Produced by Coulomb Explosion of Simple Molecular Dications of Astrochemical Interest. - Stefano Falcinelli; Marzio Rosi; Pietro Candori; Franco Vecchiocattivi; James M. Farrar; Konstantinos S. Kalogerakis; Fernando Pirani; Nadia Balucani; Michele Alagia; Robert Richter; Stefano Stranges (ICCSA (2), 2015)

A Theoretical Investigation of 1-Butanol Unimolecular Decomposition. - Leonardo Pacifici; Noelia Faginas Lago; Andrea Lombardi; Nadia Balucani; Domenico Stranges; Stefano Falcinelli; Marzio Rosi (ICCSA (2), 2015)

Modeling Combustions: The ab initio Treatment of the O( ^3 P) + CH _3 OH Reaction. - Leonardo Pacifici; Francesco Talotta; Nadia Balucani; Noelia Faginas Lago; Antonio Laganà (ICCSA (1), 2016)

A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry. - Marzio Rosi; Stefano Falcinelli; Nadia Balucani; Noelia Faginas Lago; Cecilia Ceccarelli; Dimitrios Skouteris (ICCSA (1), 2016)

A Theoretical Investigation of the Reaction N(2D) + C6H6 and Implications for the Upper Atmosphere of Titan. - Nadia Balucani; Leonardo Pacifici; Dimitrios Skouteris; Adriana Caracciolo; Piergiorgio Casavecchia; Marzio Rosi (ICCSA (2), 2018)

Formation of Nitrogen-Bearing Organic Molecules in the Reaction NH + C2H5: A Theoretical Investigation and Main Implications for Prebiotic Chemistry in Space. - Marzio Rosi; Dimitrios Skouteris; Piergiorgio Casavecchia; Stefano Falcinelli; Cecilia Ceccarelli; Nadia Balucani (ICCSA (2), 2018)

A Theoretical Investigation of the Reaction H+SiS2 and Implications for the Chemistry of Silicon in the Interstellar Medium. - Dimitrios Skouteris; Marzio Rosi; Nadia Balucani; Luca Mancini; Noelia Faginas Lago; Linda Podio; Claudio Codella; Bertrand Lefloch; Cecilia Ceccarelli (ICCSA (2), 2018)

The Ethanol Tree: Gas-Phase Formation Routes for Glycolaldehyde, Its Isomer Acetic Acid and Formic Acid. - Fanny Vazart; Dimitrios Skouteris; Nadia Balucani; Eleonora Bianchi; Cecilia Ceccarelli; Claudio Codella; Bertrand Lefloch (ICCSA (2), 2018)

A Computational Study of the Reaction N(2D) + C6H6 Leading to Pyridine and Phenylnitrene. - Nadia Balucani; Leonardo Pacifici; Dimitrios Skouteris; Adriana Caracciolo; Piergiorgio Casavecchia; Stefano Falcinelli; Marzio Rosi (ICCSA (3), 2019)

Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions. - Marzio Rosi; Dimitrios Skouteris; Nadia Balucani; Luca Mancini; Noelia Faginas Lago; Linda Podio; Claudio Codella; Bertrand Lefloch; Cecilia Ceccarelli (ICCSA (3), 2019)

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)

Formamide Dehydration and Condensation on Acidic Montmorillonite: Mechanistic Insights from Ab-Initio Periodic Simulations. - Stefano Pantaleone; Albert Rimola; Javier Navarro-Ruiz; Pierre Mignon; Mariona Sodupe; Piero Ugliengo; Nadia Balucani (ICCSA (7), 2020)

A Computational Study on the Insertion of N(2D) into a C - H or C - C Bond: The Reactions of N(2D) with Benzene and Toluene and Their Implications on the Chemistry of Titan. - Marzio Rosi; Leonardo Pacifici; Dimitrios Skouteris; Adriana Caracciolo; Piergiorgio Casavecchia; Stefano Falcinelli; Nadia Balucani (ICCSA (3), 2020)

A Theoretical Investigation of the Reaction Between Glycolaldehyde and H+ and Implications for the Organic Chemistry of Star Forming Regions. - Dimitrios Skouteris; Luca Mancini; Fanny Vazart; Cecilia Ceccarelli; Marzio Rosi; 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)

A Computational Study on the Attack of Nitrogen and Oxygen Atoms to Toluene. - Marzio Rosi; Stefano Falcinelli; Piergiorgio Casavecchia; Nadia Balucani; Pedro Recio; Adriana Caracciolo; Gianmarco Vanuzzo; Dimitrios Skouteris; Carlo Cavallotti (ICCSA (5), 2021)

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)

Formation Routes of CO from O(1D)+Toluene: A Computational Study. - Marzio Rosi; Piergiorgio Casavecchia; Nadia Balucani; Pedro Recio; Adriana Caracciolo; Dimitrios Skouteris; Carlo Cavallotti (ICCSA (Workshops 2), 2022)

Theoretical Study of the Reaction O(3P) + 1, 2-Butadiene. - Gianmarco Vanuzzo; Andrea Giustini; Marzio Rosi; Piergiorgio Casavecchia; Nadia Balucani (ICCSA (Workshops 6), 2022)

A Computational Study of the Reaction Between N(2D) and Simple Aromatic Hydrocarbons. - Marzio Rosi; Nadia Balucani; Piergiorgio Casavecchia; Noelia Faginas Lago; Luca Mancini; Dimitrios Skouteris; Gianmarco Vanuzzo (ICCSA (Workshops 2), 2023)

Theoretical Insights on the $ mathrm{S(}^{1} mathrm{D)} + { textrm{H}_{2} textrm{O}}$ Reaction and Implications on the Chemistry at the Surface of Ice in Extraterrestrial Environments. - Andrea Giustini; Gabriella Di Genova; Nadia Balucani; Cecilia Ceccarelli; Marzio Rosi; Andrea Lombardi (ICCSA (Workshops 11), 2024)

The Challenge of Characterizing Bimolecular Reactions of Aromatic Compounds via Computational Chemistry. the Case of the N(2D) + Pyridine Reaction and Implications in the Chemistry of the Thermosphere of Titan. - Luca Mancini; Marzio Rosi; Nadia Balucani (ICCSA (4), 2024)

A Computational Strategy for the Theoretical Investigation of the Reactions Between Atomic Oxygen and Aromatic Compounds. - Marzio Rosi; Nadia Balucani; Piergiorgio Casavecchia; Luca Mancini; Giacomo Pannacci; Gianmarco Vanuzzo (ICCSA (4), 2024)

Modeling Polymer Degradation by Atomic Oxygen in Low Mars and Earth Orbits: Are Diffuse Functions Necessary? - Dario Campisi; Giacomo Pannacci; Nadia Balucani; Marzio Rosi (ICCSA (Workshops 3), 2025)

Theoretical Study of the NaO + HCl Reaction: A Potential Formation Route of NaCl in the Interstellar Medium. - Andrea Giustini; Gabriella Di Genova; Nadia Balucani; Cecilia Ceccarelli; Albert Rimola; Piero Ugliengo; Marzio Rosi (ICCSA (Workshops 3), 2025)

Formation Routes of Interstellar Metal Oxides: A Computational Chemistry Approach. - Marzio Rosi; Dario Campisi; Gabriella Di Genova; Osvaldo Gervasi; Cecilia Ceccarelli; Nadia Balucani (ICCSA (Workshops 3), 2025)