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1
Gas-Phase and Model Ice-Surface Reactions of S(1D) with Water and Methanol: A Computational Investigation and Implications for Cosmochemistry/Astrochemistry

von Giustini, Andrea ; Di Genova, Gabriella ; Skouteris, Dimitrios ; et al.

ACS Earth and Space Chemistry. 8(11):2318-2333
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2
Gas-phase formation routes of dimethyl sulfide in the interstellar medium

von Di Genova, Gabriella ; Balucani, Nadia ; Mancini, Luca ; et al.

A&A 704, A305 (2025)

Schlagworte: Astrophysics of Galaxies; Earth and Planetary Astrophysics; Solar and Stellar Astrophysics; Chemical Physics
- View full text via Arxiv
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3
Can OSiS Be Formed in the Interstellar Medium? A Computational Investigation of the OH + SiS Reaction with a Kinetic Analysis

von Balucani, Nadia ; Mancini, Luca ; Skouteris, Dimitrios ; et al.

Computational Science and Its Applications – ICCSA 2026 Workshops : Braga, Portugal, June 30 – July 3, 2026, Proceedings, Part III. 16760:453-465
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4
Reactions of N(2D) with Polycyclic Aromatic Hydrocarbons: A Computational Approach

von Rosi, Marzio ; Balucani, Nadia ; Mancini, Luca ; et al.

Computational Science and Its Applications – ICCSA 2026 Workshops : Braga, Portugal, June 30 – July 3, 2026, Proceedings, Part III. 16760:440-452
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5
OH(2Π) + C2H4 Reaction: A Combined Crossed Molecular Beam and Theoretical Study

von Liang, Pengxiao ; de Aragão, Emília Valença Ferreira ; Giani, Lisa ; et al.

The Journal of Physical Chemistry A. 127(21):4609-4623
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6
Reaction N(2D) + CH2CCH2 (Allene): An Experimental and Theoretical Investigation and Implications for the Photochemical Models of Titan

von Vanuzzo, Gianmarco ; Mancini, Luca ; Pannacci, Giacomo ; et al.

ACS Earth and Space Chemistry. 6(10):2305-2321
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7
The N(2D) + CH2CHCN (Vinyl Cyanide) Reaction: A Combined Crossed Molecular Beam and Theoretical Study and Implications for the Atmosphere of Titan

von Vanuzzo, Gianmarco ; Marchione, Demian ; Mancini, Luca ; et al.

The Journal of Physical Chemistry A. 126(36):6110-6123
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8
Unsaturated Dinitriles Formation Routes in Extraterrestrial Environments: A Combined Experimental and Theoretical Investigation of the Reaction between Cyano Radicals and Cyanoethene (C2H3CN)

von Marchione, Demian ; Mancini, Luca ; Liang, Pengxiao ; et al.

The Journal of Physical Chemistry A. 126(22):3569-3582
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9
The Reaction N(2D) + CH3CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan

von Mancini, Luca ; Vanuzzo, Gianmarco ; Marchione, Demian ; et al.

The Journal of Physical Chemistry A. 125(40):8846-8859
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10
Quantum mechanical simulations of the radical-radical chemistry on icy surfaces

von Enrique-Romero, Joan ; Rimola, Albert ; Ceccarelli ; et al.

Schlagworte: Astrophysics - Astrophysics of Galaxies
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11
Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains

von Enrique-Romero, Joan ; Ceccarelli, Cecilia ; Rimola, Albert ; et al.

A&A 655, A9 (2021)

Schlagworte: Astrophysics - Astrophysics of Galaxies
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12
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13
A Computational Study of the Reaction Cyanoacetylene and Cyano Radical leading to 2-Butynedinitrile and Hydrogen Radical

von de Aragão, Emília Valença Ferreira ; Faginas-Lago, Noelia ; Rosi, Marzio ; et al.

Schlagworte: Physics - Chemical Physics
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14
Gas-phase formation of acetaldehyde: review and new theoretical computations

von Vazart, Fanny ; Ceccarelli, Cecilia ; Balucani, Nadia ; et al.

Schlagworte: Astrophysics - Astrophysics of Galaxies
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15
Reactivity of HCO with CH3 and NH2 on Water Ice Surfaces. A Comprehensive Accurate Quantum Chemistry Study

von Enrique-Romero, Joan ; Rimola, Albert ; Ceccarelli, Cecilia ; et al.

ACS Earth and Space Chemistry. 3(10):2158-2170
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16
A computational characterization of the reaction mechanisms for the reactions N(2D) + CH3CN and HC3N and implications for the nitrogen-rich organic chemistry of Titan

von Mancini, Luca ; Rosi, Marzio ; Skouteris, Dimitrios ; et al.

In Computational and Theoretical Chemistry November 2023 1229
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17
A Computational Approach to Radical-Radical Reactivity on Amorphous Ice

von Enrique-Romero, Joan ; Rimola, Albert ; Ceccarelli, Cecilia ; et al.

European Conference on Laboratory Astrophysics ECLA2020 : The Interplay of Dust, Ice, and Gas in Space. 59:57-61
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18
Investigating the Efficiency of Explosion Chemistry as a Source of Complex Organic Molecules in TMC-1

von Holdship, Jonathan ; Rawlings, Jonathan ; Viti, Serena ; et al.

Schlagworte: Astrophysics - Astrophysics of Galaxies
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19
A Computational Study of the Reaction Between N(2D) and Simple Aromatic Hydrocarbons

von Rosi, Marzio ; Balucani, Nadia ; Casavecchia, Piergiorgio ; et al.

Computational Science and Its Applications – ICCSA 2023 Workshops : Athens, Greece, July 3–6, 2023, Proceedings, Part II. 14105:718-734
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20
Can Formamide Be Formed on Interstellar Ice? An Atomistic Perspective

von Rimola, Albert ; Skouteris, Dimitrios ; Balucani, Nadia ; et al.

ACS Earth and Space Chemistry. 2(7):720-734
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21
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

von Balucani, Nadia ; Skouteris, Dimitrios ; Ceccarelli, Cecilia ; et al.

Volume 13, November 2018, Pages 30-37

Schlagworte: Astrophysics - Earth and Planetary Astrophysics; Physics - Chemical Physics
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22
Interstellar dimethyl ether gas-phase formation: a quantum chemistry and kinetics study

von Skouteris, Dimitrios ; Balucani, Nadia ; Ceccarelli, Cecilia ; et al.

Schlagworte: Astrophysics - Astrophysics of Galaxies; Astrophysics - Solar and Stellar Astrophysics
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23
Formation Routes of CO from O( 1 D)+Toluene: A Computational Study

von Rosi, Marzio ; Casavecchia, Piergiorgio ; Balucani, Nadia ; et al.

Computational Science and Its Applications – ICCSA 2022 Workshops : Malaga, Spain, July 4–7, 2022, Proceedings, Part II. 13378:260-269
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24
State-of-the-Art Thermochemical and Kinetic Computations for Astrochemical Complex Organic Molecules: Formamide Formation in Cold Interstellar Clouds as a Case Study

von Vazart, Fanny ; Calderini, Danilo ; Puzzarini, Cristina ; et al.

Journal of Chemical Theory and Computation. 12(11):5385-5397
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25
The genealogical tree of ethanol: gas-phase formation of glycolaldehyde, acetic acid and formic acid

von Skouteris, Dimitrios ; Balucani, Nadia ; Ceccarelli, Cecilia ; et al.

Schlagworte: Astrophysics - Solar and Stellar Astrophysics
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