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2020 – today
- 2024
[c40]Luca Mancini
, Emília Valença Ferreira de Aragão, Fernando Pirani, Marzio Rosi, Noelia Faginas Lago, Daniela Ascenzi:
The rmHe+. + rmCH3rmCN Charge-Exchange Reaction: A Combined Semi-empirical and Quantum Chemical Study. ICCSA (4) 2024: 39-54- [c39]Marzio Rosi, Nadia Balucani, Piergiorgio Casavecchia, Luca Mancini, Giacomo Pannacci, Gianmarco Vanuzzo:
A Computational Strategy for the Theoretical Investigation of the Reactions Between Atomic Oxygen and Aromatic Compounds. ICCSA (4) 2024: 71-83 - [c38]Luca Mancini, Marzio Rosi, Nadia Balucani:
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. ICCSA (4) 2024: 84-97 - [c37]Andrea Giustini, Gabriella Di Genova, Nadia Balucani, Cecilia Ceccarelli, Marzio Rosi, Andrea Lombardi:
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. ICCSA (Workshops 11) 2024: 274-282 - [c36]Luca Mancini, Andrea Lombardi, Fernando Pirani, Leonardo Pacifici, Marzio Rosi, Noelia Faginas Lago:
A Computational Analysis of the DMSO-Water Interaction: Toward the Implementation of an Accurate Force Field. ICCSA (Workshops 9) 2024: 361-374 - 2023
- [c35]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: 162-175 - [c34]Luca Mancini, Emília Valença Ferreira de Aragão, Marzio Rosi:
Computational Investigation of the N(2D)+ C2H4 and N(2D)+ CH2CHCN Reactions: Benchmark Analysis and Implications for Titan's Atmosphere. ICCSA (Workshops 2) 2023: 705-717 - [c33]Marzio Rosi, Nadia Balucani, Piergiorgio Casavecchia, Noelia Faginas Lago, Luca Mancini, Dimitrios Skouteris, Gianmarco Vanuzzo:
A Computational Study of the Reaction Between N(2D) and Simple Aromatic Hydrocarbons. ICCSA (Workshops 2) 2023: 718-734 - 2022
- [c32]Luca Mancini, Marco Trinari, Emília Valença Ferreira de Aragão, Marzio Rosi, Nadia Balucani:
The S+(4S)+SiH2(1A1) Reaction: Toward the Synthesis of Interstellar SiS. ICCSA (Workshops 2) 2022: 233-245 - [c31]Gianmarco Vanuzzo, Andrea Giustini, Marzio Rosi, Piergiorgio Casavecchia, Nadia Balucani:
Theoretical Study of the Reaction O(3P) + 1, 2-Butadiene. ICCSA (Workshops 6) 2022: 249-263 - [c30]Marzio Rosi, Piergiorgio Casavecchia, Nadia Balucani, Pedro Recio, Adriana Caracciolo, Dimitrios Skouteris, Carlo Cavallotti:
Formation Routes of CO from O(1D)+Toluene: A Computational Study. ICCSA (Workshops 2) 2022: 260-269 - [c29]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: 319-333 - 2021
- [c28]Emília Valença Ferreira de Aragão, Luca Mancini, Noelia Faginas Lago, Marzio Rosi, Nadia Balucani, Fernando Pirani:
Long-Range Complex in the HC3N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential. ICCSA (10) 2021: 413-425 - [c27]Stefano Falcinelli, Marzio Rosi, Marco Parriani, Antonio Laganà:
Free-Methane - from the Ionosphere of Mars Towards a Prototype Methanation Reactor: A Project Producing Fuels via Plasma Assisted Carbon Dioxide Hydrogenation. ICCSA (5) 2021: 594-607 - [c26]Marzio Rosi, Stefano Falcinelli, Piergiorgio Casavecchia, Nadia Balucani, Pedro Recio, Adriana Caracciolo, Gianmarco Vanuzzo, Dimitrios Skouteris, Carlo Cavallotti:
A Computational Study on the Attack of Nitrogen and Oxygen Atoms to Toluene. ICCSA (5) 2021: 620-631 - 2020
- [c25]Stefano Falcinelli, Fernando Pirani, Marzio Rosi, Franco Vecchiocattivi:
Theoretical and Computational Analysis at a Quantum State Level of Autoionization Processes in Astrochemistry. ICCSA (3) 2020: 693-706 - [c24]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: 707-716 - [c23]Luca Mancini, Emília Valença Ferreira de Aragão, Marzio Rosi, Dimitrios Skouteris, Nadia Balucani:
A Theoretical Investigation of the Reactions of N(2D) with Small Alkynes and Implications for the Prebiotic Chemistry of Titan. ICCSA (3) 2020: 717-729 - [c22]Dimitrios Skouteris, Luca Mancini, Fanny Vazart, Cecilia Ceccarelli, Marzio Rosi, Nadia Balucani:
A Theoretical Investigation of the Reaction Between Glycolaldehyde and H+ and Implications for the Organic Chemistry of Star Forming Regions. ICCSA (3) 2020: 730-743 - [c21]Marzio Rosi, Leonardo Pacifici, Dimitrios Skouteris, Adriana Caracciolo, Piergiorgio Casavecchia, Stefano Falcinelli, Nadia Balucani:
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. ICCSA (3) 2020: 744-755
2010 – 2019
- 2019
- [c20]Stefano Falcinelli, Marzio Rosi, Franco Vecchiocattivi, Fernando Pirani:
Analytical Potential Energy Formulation for a New Theoretical Approach in Penning Ionization. ICCSA (3) 2019: 291-305 - [c19]Marzio Rosi, Dimitrios Skouteris, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli:
Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions. ICCSA (3) 2019: 306-315 - [c18]Nadia Balucani, Leonardo Pacifici, Dimitrios Skouteris, Adriana Caracciolo, Piergiorgio Casavecchia, Stefano Falcinelli, Marzio Rosi:
A Computational Study of the Reaction N(2D) + C6H6 Leading to Pyridine and Phenylnitrene. ICCSA (3) 2019: 316-324 - 2018
- [c17]Dimitrios Skouteris, Marzio Rosi, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli:
A Theoretical Investigation of the Reaction H+SiS2 and Implications for the Chemistry of Silicon in the Interstellar Medium. ICCSA (2) 2018: 719-729 - [c16]Stefano Falcinelli, Marzio Rosi, Franco Vecchiocattivi, Fernando Pirani, Michele Alagia, Luca Schio, Robert Richter, Stefano Stranges:
Double Photoionization of Simple Molecules of Astrochemical Interest. ICCSA (2) 2018: 746-762 - [c15]Nadia Balucani, Leonardo Pacifici, Dimitrios Skouteris, Adriana Caracciolo, Piergiorgio Casavecchia, Marzio Rosi:
A Theoretical Investigation of the Reaction N(2D) + C6H6 and Implications for the Upper Atmosphere of Titan. ICCSA (2) 2018: 763-772 - [c14]Marzio Rosi, Dimitrios Skouteris, Piergiorgio Casavecchia, Stefano Falcinelli, Cecilia Ceccarelli, Nadia Balucani:
Formation of Nitrogen-Bearing Organic Molecules in the Reaction NH + C2H5: A Theoretical Investigation and Main Implications for Prebiotic Chemistry in Space. ICCSA (2) 2018: 773-782 - 2016
- [c13]Stefano Falcinelli, Marzio Rosi, Fernando Pirani, Noelia Faginas Lago, Andrea Nicoziani, Franco Vecchiocattivi:
A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes. ICCSA (1) 2016: 258-272 - [c12]Marzio Rosi, Stefano Falcinelli, Nadia Balucani, Noelia Faginas Lago, Cecilia Ceccarelli, Dimitrios Skouteris:
A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry. ICCSA (1) 2016: 296-308 - 2015
- [c11]Stefano Falcinelli, Marzio Rosi, Pietro Candori, Franco Vecchiocattivi, James M. Farrar, Konstantinos S. Kalogerakis, Fernando Pirani, Nadia Balucani, Michele Alagia, Robert Richter, Stefano Stranges:
Angular Distributions of Fragment Ions Produced by Coulomb Explosion of Simple Molecular Dications of Astrochemical Interest. ICCSA (2) 2015: 291-307 - [c10]Leonardo Pacifici, Noelia Faginas Lago, Andrea Lombardi, Nadia Balucani, Domenico Stranges, Stefano Falcinelli, Marzio Rosi:
A Theoretical Investigation of 1-Butanol Unimolecular Decomposition. ICCSA (2) 2015: 384-393 - 2014
- [c9]Stefano Falcinelli, Marzio Rosi, Pietro Candori, Franco Vecchiocattivi, James M. Farrar, Fernando Pirani, Nadia Balucani, Michele Alagia, Robert Richter, Stefano Stranges:
The Escape Probability of Some Ions from Mars and Titan Ionospheres. ICCSA (1) 2014: 554-570 - 2013
- [c8]Marzio Rosi, Stefano Falcinelli, Nadia Balucani, Piergiorgio Casavecchia, Dimitris Skouteris:
A Theoretical Study of Formation Routes and Dimerization of Methanimine and Implications for the Aerosols Formation in the Upper Atmosphere of Titan. ICCSA (1) 2013: 47-56 - [c7]Stefano Falcinelli, Marzio Rosi, Pietro Candori, Franco Vecchiocattivi, Alessio Bartocci, Andrea Lombardi, Noelia Faginas Lago, Fernando Pirani:
Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes. ICCSA (1) 2013: 69-83 - 2012
- [c6]Marzio Rosi, Pietro Candori, Stefano Falcinelli, Maria Suely Pedrosa Mundim, Fernando Pirani, Franco Vecchiocattivi:
Theoretical and Experimental Study of the Energy and Structure of Fragment Ions Produced by Double Photoionization of Benzene Molecules. ICCSA (1) 2012: 316-330 - [c5]Marzio Rosi, Stefano Falcinelli, Nadia Balucani, Piergiorgio Casavecchia, Francesca Leonori, Dimitris Skouteris:
Theoretical Study of Reactions Relevant for Atmospheric Models of Titan: Interaction of Excited Nitrogen Atoms with Small Hydrocarbons. ICCSA (1) 2012: 331-344
2000 – 2009
- 2005
- [c4]Marzio Rosi:
Theoretical Investigations of Atmospheric Species Relevant for the Search of High-Energy Density Materials. ICCSA (1) 2005: 1101-1110 - 2004
- [j2]Paola Belanzoni, Marzio Rosi, Antonio Sgamellotti:
A theoretical approach to molecular batteries: C---C bonds functioning as electron shuttles. Future Gener. Comput. Syst. 20(5): 793-805 (2004) - [j1]Marco Di Stefano, Marzio Rosi, Antonio Sgamellotti:
Phenylium and naphtylium cations in the interstellar medium: a density functional study on their reactivity towards D2 molecules. Future Gener. Comput. Syst. 20(5): 807-819 (2004) - [c3]Marco Di Stefano, Marzio Rosi, Antonio Sgamellotti:
C6NH6+ Ions as Intermediates in the Reaction between Benzene and N+ Ions. ICCSA (2) 2004: 412-421 - 2003
- [c2]Marco Di Stefano, Marzio Rosi, Antonio Sgamellotti:
Theoretical Investigations on the Reactions of C6H5+ and C10H7+_7 with D2. International Conference on Computational Science 2003: 366-375 - [c1]Paola Belanzoni, Marzio Rosi, Antonio Sgamellotti:
Density Functional Investigations on the C-C Bond Formation and Cleavage in Molecular Batteries. International Conference on Computational Science 2003: 376-385
Coauthor Index
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