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Machine Learning Photodynamics Unveils a Controlled H2 Loss Channel in the Methaniminium Cation
Daniil N. Chistikov, Pavel M. Radzikovitsky, Dmitry S. Popov, Ivan V. Dudakov, Vadim V. Korolev, Vladimir E. Bochenkov and Anastasia V. Bochenkova The Journal of Physical Chemistry Letters 17(5) 1411 (2026) https://doi.org/10.1021/acs.jpclett.5c03196
Gas-phase formation routes of dimethyl sulfide in the interstellar medium
Gabriella Di Genova, Nadia Balucani, Luca Mancini, Andrea Giustini, Marzio Rosi, Dimitrios Skouteris and Cecilia Ceccarelli Astronomy & Astrophysics 704 A305 (2025) https://doi.org/10.1051/0004-6361/202555216
Marzio Rosi, Nadia Balucani, Piergiorgio Casavecchia, Luca Mancini, Giacomo Pannacci and Gianmarco Vanuzzo 14818 71 (2024) https://doi.org/10.1007/978-3-031-65273-8_5
Can astronomical observations be used to constrain crucial chemical reactions? The methoxy case. SOLIS XVIII
Nadia Balucani, Cecilia Ceccarelli, Fanny Vazart, Francois Dulieu, Dimitrios Skouteris, Marzio Rosi, Fernando Pirani, Eleonora Bianchi, Paola Caselli and Claudio Codella Monthly Notices of the Royal Astronomical Society 528(4) 6706 (2024) https://doi.org/10.1093/mnras/stae232
Unveiling the Reaction Mechanism of the N(2D) + Pyridine Reaction: Ring-Contraction versus 7-Membered-Ring Formation Channels
Luca Mancini, Gianmarco Vanuzzo, Pedro Recio, Adriana Caracciolo, Noelia Faginas-Lago, Marzio Rosi, Piergiorgio Casavecchia and Nadia Balucani The Journal of Physical Chemistry A 128(34) 7177 (2024) https://doi.org/10.1021/acs.jpca.4c02924
The Formation of Imines and Nitriles during VUV Photoirradiation of NH3:C2H
x
Ice Mixtures
Revised gas-phase formation network of methyl cyanide: the origin of methyl cyanide and methanol abundance correlation in hot corinos
Lisa Giani, Cecilia Ceccarelli, Luca Mancini, Eleonora Bianchi, Fernando Pirani, Marzio Rosi and Nadia Balucani Monthly Notices of the Royal Astronomical Society 526(3) 4535 (2023) https://doi.org/10.1093/mnras/stad2892
Zhenghai Yang, Iakov A. Medvedkov, Shane J. Goettl and Ralf I. Kaiser The Journal of Physical Chemistry Letters 14(38) 8500 (2023) https://doi.org/10.1021/acs.jpclett.3c02360
An experimental and theoretical investigation of the N(2D) + C6H6 (benzene) reaction with implications for the photochemical models of Titan
Nadia Balucani, Adriana Caracciolo, Gianmarco Vanuzzo, Dimitrios Skouteris, Marzio Rosi, Leonardo Pacifici, Piergiorgio Casavecchia, Kevin M. Hickson, Jean-Christophe Loison and Michel Dobrijevic Faraday Discussions 245 327 (2023) https://doi.org/10.1039/D3FD00057E
Nadia Balucani 59 17 (2023) https://doi.org/10.1007/978-3-031-29003-9_2
Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction
Emília Valença Ferreira de Aragão, Luca Mancini, Noelia Faginas-Lago, Marzio Rosi, Dimitrios Skouteris and Fernando Pirani Molecules 27(7) 2297 (2022) https://doi.org/10.3390/molecules27072297
Computational Science and Its Applications – ICCSA 2022 Workshops
Marzio Rosi, Piergiorgio Casavecchia, Nadia Balucani, et al. Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2022 Workshops 13378 260 (2022) https://doi.org/10.1007/978-3-031-10562-3_19
Quantum Chemical Computations of Gas-phase Glycolaldehyde Deuteration and Constraints on Its Formation Route
Computational Science and Its Applications – ICCSA 2021
Marzio Rosi, Stefano Falcinelli, Piergiorgio Casavecchia, et al. Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2021 12953 620 (2021) https://doi.org/10.1007/978-3-030-86976-2_42
Chemi-Ionization Reactions and Basic Stereodynamical Effects in Collisions of Atom-Molecule Reagents
Stefano Falcinelli, Franco Vecchiocattivi, James M. Farrar and Fernando Pirani The Journal of Physical Chemistry A 125(16) 3307 (2021) https://doi.org/10.1021/acs.jpca.1c00688
Computational Science and Its Applications – ICCSA 2021
Stefano Falcinelli, Franco Vecchiocattivi and Fernando Pirani Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2021 12953 646 (2021) https://doi.org/10.1007/978-3-030-86976-2_44
Precursor state of chemi-ionization reactions and confinement of valence electrons by anisotropic intermolecular forces
The reactivity of methanimine radical cation (H2CNH+) and its isomer aminomethylene (HCNH2+) with methane
V. Richardson, C. Alcaraz, W.D. Geppert, M. Polášek, C. Romanzin, D. Sundelin, R. Thissen, P. Tosi, J. Žabka and D. Ascenzi Chemical Physics Letters 775 138611 (2021) https://doi.org/10.1016/j.cplett.2021.138611
Heavy Positive Ion Groups in Titan’s Ionosphere from Cassini Plasma Spectrometer IBS Observations
Richard P. Haythornthwaite, Andrew J. Coates, Geraint H. Jones, Anne Wellbrock, J. Hunter Waite, Véronique Vuitton and Panayotis Lavvas The Planetary Science Journal 2(1) 26 (2021) https://doi.org/10.3847/PSJ/abd404
Computational Science and Its Applications – ICCSA 2021
Stefano Falcinelli, Marzio Rosi, Marco Parriani and Antonio Laganà Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2021 12953 594 (2021) https://doi.org/10.1007/978-3-030-86976-2_40
The Reaction N(2D) + CH3CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan
Methane Production from H2 + CO2 Reaction: An Open Molecular Science Case for Computational and Experimental Studies
Stefano Falcinelli, Andrea Capriccioli, Marzio Rosi, Carles Martì, Marco Parriani and Antonio Laganà Physchem 1(1) 82 (2021) https://doi.org/10.3390/physchem1010006
Production and Characterization of Molecular Dications: Experimental and Theoretical Efforts
Gas-phase formation of acetaldehyde: review and new theoretical computations
Fanny Vazart, Cecilia Ceccarelli, Nadia Balucani, Eleonora Bianchi and Dimitrios Skouteris Monthly Notices of the Royal Astronomical Society 499(4) 5547 (2020) https://doi.org/10.1093/mnras/staa3060
Computational Science and Its Applications – ICCSA 2020
Stefano Falcinelli, Fernando Pirani, Marzio Rosi and Franco Vecchiocattivi Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2020 12251 693 (2020) https://doi.org/10.1007/978-3-030-58808-3_50
Computational Science and Its Applications – ICCSA 2020
Marzio Rosi, Leonardo Pacifici, Dimitrios Skouteris, et al. Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2020 12251 744 (2020) https://doi.org/10.1007/978-3-030-58808-3_54
Computational Science and Its Applications – ICCSA 2020
Emília Valença Ferreira de Aragão, Noelia Faginas-Lago, Marzio Rosi, et al. Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2020 12251 707 (2020) https://doi.org/10.1007/978-3-030-58808-3_51
The Fragmentation Dynamics of Simple Organic Molecules of Astrochemical Interest Interacting with VUV Photons
Interstellar dimethyl ether gas-phase formation: a quantum chemistry and kinetics study
Dimitrios Skouteris, Nadia Balucani, Cecilia Ceccarelli, et al. Monthly Notices of the Royal Astronomical Society 482(3) 3567 (2019) https://doi.org/10.1093/mnras/sty2903
High-resolution double resonance action spectroscopy in ion traps: vibrational and rotational fingerprints of CH2NH2+
Charles R. Markus, Sven Thorwirth, Oskar Asvany and Stephan Schlemmer Physical Chemistry Chemical Physics 21(48) 26406 (2019) https://doi.org/10.1039/C9CP05487A
The possibility of :CNH2+ within Titan’s atmosphere: Rovibrational analysis of :CNH2+ and :CCH2
Computational Science and Its Applications – ICCSA 2019
Stefano Falcinelli, Marzio Rosi, Franco Vecchiocattivi and Fernando Pirani Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2019 11621 291 (2019) https://doi.org/10.1007/978-3-030-24302-9_21
Computational Science and Its Applications – ICCSA 2019
Nadia Balucani, Leonardo Pacifici, Dimitrios Skouteris, et al. Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2019 11621 316 (2019) https://doi.org/10.1007/978-3-030-24302-9_23
Computational Science and Its Applications – ICCSA 2019
Marzio Rosi, Dimitrios Skouteris, Nadia Balucani, et al. Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2019 11621 306 (2019) https://doi.org/10.1007/978-3-030-24302-9_22
Computational Science and Its Applications – ICCSA 2019
Noelia Faginas-Lago, Yusuf Bramastya Apriliyanto and Andrea Lombardi Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2019 11624 374 (2019) https://doi.org/10.1007/978-3-030-24311-1_27
Low‐Pressure EUV Photochemical Experiments: Insight on the Ion Chemistry Occurring in Titan's Atmosphere
J. Bourgalais, N. Carrasco, L. Vettier and P. Pernot Journal of Geophysical Research: Space Physics 124(11) 9214 (2019) https://doi.org/10.1029/2019JA026953
Dissociative recombination of CH2NH2+: a crucial link with interstellar methanimine and Titan ammonia
A theoretical investigation of the reaction between the amidogen, NH, and the ethyl, C2H5, radicals: a possible gas-phase formation route of interstellar and planetary ethanimine
Low temperature kinetics and theoretical studies of the reaction CN + CH3NH2: a potential source of cyanamide and methyl cyanamide in the interstellar medium
Chantal Sleiman, Gisèle El Dib, Marzio Rosi, et al. Physical Chemistry Chemical Physics 20(8) 5478 (2018) https://doi.org/10.1039/C7CP05746F
Computational Science and Its Applications – ICCSA 2018
Marzio Rosi, Dimitrios Skouteris, Piergiorgio Casavecchia, et al. Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2018 10961 773 (2018) https://doi.org/10.1007/978-3-319-95165-2_54
Computational Science and Its Applications – ICCSA 2018
Stefano Falcinelli, Marzio Rosi, Franco Vecchiocattivi, et al. Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2018 10961 746 (2018) https://doi.org/10.1007/978-3-319-95165-2_52
The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid
New quantum chemical computations of formamide deuteration support gas-phase formation of this prebiotic molecule
D. Skouteris, F. Vazart, C. Ceccarelli, N. Balucani, C. Puzzarini and V. Barone Monthly Notices of the Royal Astronomical Society: Letters 468(1) L1 (2017) https://doi.org/10.1093/mnrasl/slx012
C5H9N isomers: pointers to possible branched chain interstellar molecules
The escape of O+ ions from the atmosphere: An explanation of the observed ion density profiles on Mars
Stefano Falcinelli, Fernando Pirani, Michele Alagia, Luca Schio, Robert Richter, Stefano Stranges and Franco Vecchiocattivi Chemical Physics Letters 666 1 (2016) https://doi.org/10.1016/j.cplett.2016.09.003
Computational Science and Its Applications – ICCSA 2016
Stefano Falcinelli, Marzio Rosi, Fernando Pirani, et al. Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2016 9786 258 (2016) https://doi.org/10.1007/978-3-319-42085-1_20
Computational Science and Its Applications – ICCSA 2016
Marzio Rosi, Stefano Falcinelli, Nadia Balucani, et al. Lecture Notes in Computer Science, Computational Science and Its Applications – ICCSA 2016 9786 296 (2016) https://doi.org/10.1007/978-3-319-42085-1_23
Molecular Dications in Planetary Atmospheric Escape
Stefano Falcinelli, Fernando Pirani, Michele Alagia, Luca Schio, Robert Richter, Stefano Stranges, Nadia Balucani and Franco Vecchiocattivi Atmosphere 7(9) 112 (2016) https://doi.org/10.3390/atmos7090112