Articoli scientifici

Articoli scientifici




Ballotta B., Martinez Nunez E., Rampino S., Barone V. Competition between Abstraction and Addition Channels for the Reaction between the OH Radical and Vinyl Alcohol in the Interstellar Medium. ACS Earth Space Chem. 2023, 7. IF 3,556


Ballotta B., Marforio T. D., Rampino S., Martinez E., Barone V., Melosso M., Bottoni A., Dore L. Toward the detection of cyanoketene in the interstellar medium: new hints from quantum chemistry and rotational spectroscopy. ACS Earth Space Chem. 2023, 7, 1172−1180. IF 3,556


Balucani N., Caracciolo A., Vanuzzo G., Skouteris D., Rosi M., Pacifici L., Casavecchia P., Hickson K.M., Loison J.-C., Dobrijevic M. An experimental and theoretical investigation of the N(2D) + C6H6 (benzene) reaction with implica-tions for the photochemical models of Titan. Faraday Discussions, 2023, in press doi: 10.1039/d3fd00057e IF 4,394


Barone V., Ceselin G., Lazzari F., Tasinato N. Toward Spectroscopic Accuracy for the Structures of Large Molecules at DFT Cost: Refinement and Extension of the Nano-LEGO Approach. J. Phys. Chem. A 2023, 127. IF 2,944


Barone V., Fusè M., Lazzari F., Mancini G. Benchmark structures and conformational landscapes of amino acids in the gas phase: a joint venture of machine learning, quantum chemistry, and rotational spectroscopy. J. Chem. Theory Comput. 2023, 19, 1243-1260. IF 6,578


Barone V., Fusè M. Accurate structures and spectroscopic parameters of phenylalanine and tyrosine in the gas-phase: a joint venture of DFT and composite wave-function methods. J. Phys. Chem. A 2023, 127, 3648−3657. IF 2,944


Barone V., Di Grande S., Puzzarini C. Toward accurate yet effective computations of rotational spectroscopic parameters for biomolecule building blocks. Molecules. 2023, 28, 913. IF 4,927

Barone V., Puzzarini C. Gas-phase computational spectroscopy: the challenge of the molecular bricks of life. Ann. Rev. Phys. Chem. 2023, 74. IF 16,314


Barone V., Lupi J., Salta Z., Tasinato N. Reliable Gas Phase Reaction Rates at Affordable Cost by Means of the Parameter-Free JunChS-F12 Model Chemistry. J. Chem. Theory Comput. 2023, 19. IF 6,578


Battistuzzi, M.; Cocola, L.; Claudi, R.; Pozzer, A.C.; Segalla, A.; Simionato, D.; Morosinotto, T.; Poletto, L.; La Rocca, N. Oxygenic Photosynthetic Responses of Cyanobacteria Exposed Under an M-Dwarf Starlight Simulator: Implications for Exoplanet’s Habitability. Front Plant Sci. 2023, 14:1070359. IF 6,627


Fagliarone, C.; Mosca, C.; Di Stefano, G.; Leuko, S.; Moeller, R.; Rabbow, E.; Petra Rettberg, P.; Billi, D. Enabling deep-space experimentations on cyanobacteria by monitoring cell division resumption in dried Chroococcidiopsis sp. 029 with accumulated DNA damage. Front Microbiol. 2023, 17, IF 6,064


La Rocca, N.; Battistuzzi, M.; Moro, I.; Rascio, N. Cyanobacteria and Microalgae Responses to Light Regimes and CO2 Availability. In: Handbook of Photosynthesis (4th edition); Pessarakli M. ed.; CRC Press, Taylor & Francis. 2023, accepted for publication.


Liang, P.; de Aragão, E.; Pannacci, G.; Vanuzzo, G.; Giustini, A.; Marchione, D.; Recio, P.;  Ferlin, F.; Stranges, D.; Faginas Lago, N.; Rosi, M.; Casavecchia, P.; Balucani, N. Reactions O(3P, 1D) + HCCCN(X1Σ+) (Cyanoacetylene): Crossed-Beam and Theoretical Studies and Implications for the Chemistry of Extraterrestrial Environments.  J. Phys. Chem. A 2023, 127: 685–703. IF 2,944

Moro, I.; La Rocca, N.; Battistuzzi, M.; Rascio, N. Photosynthetic Apparatus in Cyanobacteria and Microalgae. In: Handbook of Photosynthesis (4th edition); Pessarakli M. ed.; CRC Press, Taylor & Francis. 2023, accepted for publication.


Pannacci G., Mancini L., Vanuzzo G., Liang P., Marchione D., Rosi M, Casavecchia P., Balucani N. Combined crossed-beams and theoretical study of the O(3P,1D) + acrylonitrile (CH2CHCN) reactions and implications for combustion and extraterrestrial environments. Physical Chemistry Chemical Physics, in press 2023, doi: 10.1039/D3CP01558K IF 3.945


Tinacci, L.; Ferrada-Chamorro, S.; Ceccarelli, C.; Pantaleone, S.; Ascenzi, D.; Maranzana, A.; Balucani, N.;  Ugliengo, P. The GRETOBAPE gas-phase reaction network: the importance of being exothermic. The Astrophysical Journal Supplement Series 2023, 266:38. IF 9,200



Albertini N., Baldini J., Dal Pino A., Lazzari F., Legnaioli S., Barone V. PROTEUS: an immersive tool for exploring the world of cultural heritage across space and time scales. Heritage Sci. 2022, 10, 71.


Ambrifi, A.; Balbi, A.; Lingam, M.; Tombesi, F.; Perlman, E. The Impact of AGN Outflows on the Surface Habitability of Terrestrial Planets in the Milky Way. Mon. Not. R. Astron. Soc. 2022, 512, 505–516. IF 5,235


Baiano C., Lupi J., Barone V., Tasinato N. Gliding on ice in search of accurate and cost-effective computational methods for astrochemistry on grains: the puzzling case of the HCN isomerization. J. Chem. Theory Comput. 2022, 18, 3111-3121. IF 6.578


Barone V., Puzzarini C. Toward accurate formation routes of complex organic molecules in the interstellar medium: the paradigmatic case of acrylonitrile and cyanomethanimine. Front. Astron. Space Sci. 2022, 8, 814384. IF 4,055


Biasiotti, L.; Simonetti, P.; Vladilo, G.; Silva, L.; Murante, G.; Ivanovski, S.; Maris, M.; Monai, S.; Bisesi, E.; von Hardenberg, J. EOS-ESTM: A Flexible Climate Model for Habitable Exoplanets. Mon. Not. R. Astron. Soc. 2022, 514, 5105–5125. IF 5,235

Billi, D.; Napoli, A.; Mosca, C.; Fagliarone, C.; De Carolis, R.; Balbi, A.; Scanu, M.; Selinger, V.M.; Antonaru, L.A.; Nürnberg, D.J. Identification of Far-Red Light Acclimation in an Endolithic Chroococcidiopsis Strain and Associated Genomic Features: Implications for Oxygenic Photosynthesis on Exoplanets. Front. Microbiol. 2022, 2696. IF 6,064

Cassaro, A.; Pacelli, C.; Onofri, S. Survival, Metabolic Activity and Ultrastructural Damages of Antarctic Black Fungus in Perchlorates Media. Front. Microbiol. 4235. IF 6,064

Falbo E., Fusè M., Lazzari F., Mancini G., Barone V., Integration of quantum chemistry, statistical mechanics, and artificial intelligence for computational spectroscopy: the UV-Vis spectrum of TEMPO radical in different solvents. J. Chem. Theory Comput. 2022, 18, 6203-6216. IF 6.578


Germain, A.; Tinacci, L.; Pantaleone, S.; Ceccarelli, C.; Ugliengo, P. Computer Generated Realistic Interstellar Icy Grain Models: Physicochemical Properties and Interaction with NH3. ACS Earth Sp. Chem. 2022, 6, 1286–1298. IF 3,556


Li X., Spada L., Alessandrini S., Zheng Y., Lengsfels K. G., Grabow J.-U., Feng G., Puzzarini C., Barone V. Stacked but not stuck: unveiling the role of -* interactions with the help of the benzofuran-formaldehyde complex. Angew. Chem. Int. Ed. Engl. 2022, 61, 264-270.


Liang, P.; Mancini, L.; Marchione, D.; Vanuzzo, G.; Ferlin, F.; Recio, P.; Tan, Y.; Pannacci, G.; Vaccaro, L.; Rosi, M. Combined Crossed Molecular Beams and Computational Study on the N (2D)+ HCCCN (X1Σ+) Reaction and Implications for Extra-Terrestrial Environments. Mol. Phys. 2022, 120, e1948126. IF 1.937


Mancini, L.; de Aragão, E.V.F.; Vanuzzo, G. A Theoretical Investigation of the Reactions of N (D) and CN with Acrylonitrile and Implications for the Prebiotic Chemistry of Titan. In Proceedings of the International Conference on Computational Science and Its Applications; Springer, 2022; pp. 246–259.


Mancini G., Fusè M., Lazzari F., Barone V. Fast exploration of potential energy surfaces with a joint venture of quantum chemistry, evolutionary algorithms and unsupervised learning. Digutal Discovery. 2022, doi: 10.1039/d2dd00070a


Mancini G., Fusè M., Lipparini F., Ceselin M. G., Salta Z., Bloino J., Tasinato N., Barone V. Accurate quantum chemical spectroscopic characterization of glycolic acid: a route toward its astrophysical detection. J. Phys. Chem. A 2022, 126, 2373-2387. IF 2,944


Marchione, D.; Mancini, L.; Liang, P.; Vanuzzo, G.; Pirani, F.; Skouteris, D.; Rosi, M.; Casavecchia, P.; Balucani, N. Unsaturated Dinitriles Formation Routes in Extraterrestrial Environments: A Combined Experimental and Theoretical Investigation of the Reaction between Cyano Radicals and Cyanoethene (C2H3CN). J. Phys. Chem. A 2022.  IF 2,944


Melli A., Melosso M., Lengdfeld K. G., Bizzocchi L., Rivilla V. M., Dore L., Barone V., Grabow J. U., Puzzarini C. Spectroscopic Characterization of 3-Aminoisoxazole, a Prebiotic Precursor of Ribonucleotides. Molecules. 2022, 27, 3278.  IF 4,927

Mendolicchio M., Bloino J., Barone V. Perturb-then-diagonalize vibrational engine exploiting curvilinear internal coordinates. J. Chem. Theory Comput. 2022, doi: 10.1021/acs.jctc.2c00773. IF 6,578


Nottoli, G. Scalmani, V. Barone, Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters. J. Chem. Theory Comput. 2022, 18, 2479-2493. IF 6,578


Pantaleone, S.; Corno, M.; Rimola, A.; Balucani, N.; Ugliengo, P. Water Interaction with Fe2NiP Schreibersite (110) Surface: A Quantum Mechanical Atomistic Perspective. J. Phys. Chem. C 2022, 126, 2243–2252. IF 4,117

Perrero, J.; Enrique-Romero, J.; Ferrero, S.; Ceccarelli, C.; Podio, L.; Codella, C.; Rimola, A.; Ugliengo, P.  Binding Energies of Interstellar Relevant S-bearing Species on Water Ice Mantles: A Quantum Mechanical Investigation. The Astrophysical Journal, 2022, 938. IF 5,521

Recio, P.; Alessandrini, S.; Vanuzzo, G.; Pannacci, G.; Baggioli, A.; Marchione, D.; Caracciolo, A.; Murray, V.J.; Casavecchia, P.; Balucani, N. Intersystem Crossing in the Entrance Channel of the Reaction of O (3P) with Pyridine. Nat. Chem. 2022, 1–8. IF 24,274

Rimola, A.; Balucani, N.; Ceccarelli, C.; Ugliengo, P. Tracing the Primordial Chemical Life of Glycine: A Review from Quantum Chemical Simulations. Int. J. Mol. Sci. 2022, 23, 4252. IF 6,208


Rivilla V. M., Colzi L., Jiménez-Serra I., Pintado J. M., Megias A., Melosso M., Bizzocchi L., Lòpez-Galliga A., Martìnez-Henares A., Massalkhi S., Tercero B., De Vicente P., Guillemin J.-C., Garcia de la Conception J., Rico-Villas F., Zeng S., Martìn S., Requena-Torres M. A., Tonolo F., Alessandrini S., Dore L., Barone V., Puzzarini C. Precursors of the RNA-world in space: Detection of Z-1,2-ethenediol in the interstellar medium, a key intermediate in sugar formation. Astrophys. J. Lett. 2022, 929, L11. IF 8,811

Simonetti, P.; Vladilo, G.; Silva, L.; Maris, M.; Ivanovski, S.L.; Biasiotti, L.; Malik, M.; von Hardenberg, J. EOS: Flexible Radiative Transfer for Rocky Exoplanets Climate Simulations. Bull. Am. Astron. Soc. 2022, 54, 102–299.

Simonetti, P.; Vladilo, G.; Silva, L.; Maris, M.; Ivanovski, S.L.; Biasiotti, L.; Malik, M.; von Hardenberg, J. EOS: Atmospheric Radiative Transfer in Habitable Worlds with HELIOS. Astrophys. J. 2022, 925, 105. IF 5,521


Tinacci, L.; Germain, A.; Pantaleone, S.; Ferrero, S.; Ceccarelli, C.; Ugliengo, P. Theoretical Distribution of the Ammonia Binding Energy at Interstellar Icy Grains: A New Computational Framework. ACS Earth Sp. Chem. 2022. IF 3,556


Vanuzzo, G.; Marchione, D.; Mancini, L.; Liang, P.; Pannacci, G.; Recio, P.; Tan, Y.; Rosi, M.; Skouteris, D.; Casavecchia, P. The N (2D)+ CH2CHCN (Vinyl Cyanide) Reaction: A Combined Crossed Molecular Beam and Theoretical Study and Implications for the Atmosphere of Titan. J. Phys. Chem. A 2022, 126, 6110-6123. IF 2,944

Vanuzzo, G.; Mancini, L.; Pannacci, G.; Liang, P.; Marchione, D.; Recio, P.; Tan, Y.; Rosi, M.; Skouteris, D.; Casavecchia, P.; Balucani, N.; Hickson, K.M., Loison, J.C.; Dobijevic, M. The Reaction N(2D) + CH2CCH2 (Allene): an Experimental and Theoretical Investigation and Implications for the Photochemical Models of Titan. ACS Earth and Space Chemistry 2022, 6 2305–2321. IF 3.556

Vazart, V.; Ceccarelli, C.; Balucani, N.; Skouteris, D. Quantum Chemical Computations of Gas-phase Glycolaldehyde Deuteration and Constraints on Its Formation Route.  The Astrophysical Journal 2022, 941:196. IF 5.521 

Vladilo, G. On the role of 40K in the Origin of Terrestrial Life. Life 2022, 12, 1620. IF 3,253



Alessandrini, S.; Tonolo, F.; Puzzarini, C. In Search of Phosphorus in Astronomical Environments: The Reaction between the CP Radical (X 2 Σ+) and Methanimine. J. Chem. Phys. 2021, 154, 54306. IF 4,304

Alonso, E.R.; Fuse, M.; León, I.; Puzzarini, C.; Alonso, J.L.; Barone, V. Exploring the Maze of Cycloserine Conformers in the Gas Phase Guided by Microwave Spectroscopy and Quantum Chemistry. J. Phys. Chem. A 2021, 125, 2121–2129. IF 2,944

Ballotta B., Nandi S., Barone V., Rampino S. Gas-Phase Formation and Isomerization Reactions of Cyanoacetaldehyde, a Prebiotic Molecule of Astrochemical Interest. ACS Earth Space Chem. 2021, 5, 1071-1082. IF 3.556


Balucani, N.; Skouteris, D. Gas-Phase Prebiotic Chemistry Driven by Ultraviolet Photolysis of Simple Molecules. In Prebiotic Photochemistry; 2021; pp. 37–59.

Balucani, N.; Skouteris, D. Nitrogen Gas-Phase Prebiotic Chemistry in Planetary Atmospheres: The Lesson of Titan. Mem. della Soc. Astron. Ital. J. Ital. Astron. Soc. 2021, 74.

Barone V., Lupi J., Salta Z., Tasinato N., Development and validation of a parameter-free model chemistry for the computation of reliable reaction rates. J. Comput. Chem. 2021, 17, 4913-4928. IF 3,672


Barone V., Puzzarini C., Mancini G. Integration of Theory, Simulation, Artificial Intelligence and Virtual Reality: A Four-Pillar Approach for Reconciling Accuracy and Interpretability in Computational Spectroscopy. Phys. Chem. Chem. Phys. 2021, 23, 17079-17096. IF 3,945


Bizzarri, B.M.; Fanelli, A.; Kapralov, M.; Krasavin, E.; Saladino, R. Meteorite-Catalyzed Intermolecular Trans-Glycosylation Produces Nucleosides under Proton Beam Irradiation. RSC Adv. 2021, 11, 19258–19264. IF 4,036

Bizzarri, B.M.; Saladino, R.; Delfino, I.; García-Ruiz, J.M.; Di Mauro, E. Prebiotic Organic Chemistry of Formamide and the Origin of Life in Planetary Conditions: What We Know and What Is the Future. Int. J. Mol. Sci. 2021, 22, 917. IF 6,208


Cassaro, A.; Pacelli, C.; Aureli, L.; Leo, P.; Catanzaro, I.; de Vera, J.P.P.; Onofri, S. A Multi-Step Astrobiological Approach for Supporting Life-Detection. Mem. della Soc. Astron. Ital. J. Ital. Astron. Soc. 2021, 103. 


Ceselin G., Barone V., Tasinato N. Accurate Biomolecular Structures by the Nano-LEGO Approach: Pick the Bricks and Build Your Geometry. J. Chem. Theory Comput. 2021, 17, 7290-7311. IF 6,578

Claudi, R.; Alei, E.; Battistuzzi, M.; Cocola, L.; Erculiani, M.S.; Pozzer, A.C.; Salasnich, B.; Simionato, D.; Squicciarini, V.; Poletto, L.; La Rocca N.  Super-Earths, M Dwarfs, and Photosynthetic Organisms: Habitability in the Lab. Life 2021, 11, 10. IF 3,253

Corazzi, M.A.; Brucato, J.R.; Poggiali, G.; Podio, L.; Fedele, D.; Codella, C. Thermal Desorption of Astrophysically Relevant Ice Mixtures of Acetaldehyde and Acetonitrile from Olivine Dust. Astrophys. J. 2021, 913, 128. IF 5,521

Costanzo, G.; Cirigliano, A.; Di Mauro, E. Non-Enzymatic Oligomerization of 3’, 5’cyclic Ribonucleotides. Mem. della Soc. Astron. Ital. J. Ital. Astron. Soc. 2021, 82.

Costanzo, G.; Šponer, J.E.; Šponer, J.; Cirigliano, A.; Benedetti, P.; Giliberti, V.; Polito, R.; Di Mauro, E. Sustainability and Chaos in the Abiotic Polymerization of 3′, 5′ Cyclic Guanosine Monophosphate: The Role of Aggregation. ChemSystemsChem 2021, 3, e2000011.

De Lise, F.; Iacono, R.; Strazzulli, A.; Giglio, R.; Curci, N.; Maurelli, L.; Avino, R.; Carandente, A.; Caliro, S.; Tortora, A. Transcript Regulation of the Recoded Archaeal α-L-Fucosidase in Vivo. Molecules 2021, 26, 1861. IF 4,927

De Lise, F.; Strazzulli, A.; Iacono, R.; Curci, N.; Di Fenza, M.; Maurelli, L.; Moracci, M.; Cobucci-Ponzano, B. Programmed Deviations of Ribosomes From Standard Decoding in Archaea. Front. Microbiol. 2021, 1352. IF 6,064


Grimaldi, C., Lingam, M., Balbi, A., Feasibility of Detecting Interstellar Panspermia in Astrophysical Environments, Astronomical Journal, 2021, 162(1), 23. IF 5.491

Ivanovski, S.L.; Biasiotti, L.; Bisesi, E.; Maris, M.; Murante, G.; Silva, L.; Fulle, M.; Monai, S.; Simonetti, P.M.; Vladilo, G. Steps towards Atmospheric and MHD Modelling of Habitable Exoplanets. Mem. della Soc. Astron. Ital. J. Ital. Astron. Soc. 2021, 115.


La Rocca N., Claudi R., Battistuzzi M., Cocola L., Pozzer C., Simionato D., Segalla A., Morosinotto T.  and Poletto L. Studying photosynthesis under simulated M-dwarf star light. Mem. della Soc. Astron. Ital. J. Ital. Astron. Soc. 2021, 29: 120-123.


Léon, N. Tasinato, L. Spada, E. R. Alonso, S. Mata, A. Balbi, C. Puzzarini, J. L. Alonso, V. Barone Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy. ChemPlusChem 2021, 86, 1374-1386. IF 3,210


Lingam, M., Balbi, A., Mahajan, S.M. Excitation Properties of Photopigments and Their Possible Dependence on the Host Star. Astrophysical Journal Letters, 2021, 921(2), L41, IF 8,811


Lupi J., Puzzarini C., Barone V. Methanimine as a key precursor of imines in the interstellar medium: the case of propargylamine. Astrophys. J. Lett. 2021, 903, L35. IF 8,811

Lombardi A., Mancini L., Valenca Ferreira de Aragao E., Giani L. The CH2CH2 + OH Gas Phase Reaction: Formaldehyde and Acetaldehyde Formation Routes. In: O. Gervasi et al. (Eds.): ICCSA 2021 Workshops, LNCS 12953, pp. 581–593, 2022. 

Mancini, L.; Vanuzzo, G.; Marchione, D.; Pannacci, G.; Liang, P.; Recio, P.; Rosi, M.; Skouteris, D.; Casavecchia, P.; Balucani, N. The Reaction N (2D)+ CH3CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan. J. Phys. Chem. A 2021, 125, 8846–8859. IF 2,944

Mendolicchio M., Bloino J., Barone V. General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups. J. Chem. Theory Comput. 2021, 17, 4332-4358. IF 3.672


Napoli, A.; Iacovelli, F.; Fagliarone, C.; Pascarella, G.; Falconi, M.; Billi, D. Genome-Wide Identification and Bioinformatics Characterization of Superoxide Dismutases in the Desiccation-Tolerant Cyanobacterium Chroococcidiopsis Sp. CCMEE 029. Front. Microbiol. 2021, 12, 660050.  IF 6,064

Onofri, S.; Cassaro, A. Extremophilic Eukaryotes for Searching Life beyond the Earth. Mem. della Soc. Astron. Ital. J. Ital. Astron. Soc. 2021, 42. 

Pacelli, C.; Cassaro, A.; Siong, L.M.; Aureli, L.; Moeller, R.; Fujimori, A.; Shuryak, I.; Onofri, S. Insights into the Survival Capabilities of Cryomyces antarcticus Hydrated Colonies after Exposure to Fe Particle Radiation. J. Fungi 2021, 7, 495. IF 5,724

Pantaleone, S.; Corno, M.; Rimola, A.; Balucani, N.; Ugliengo, P. Ab Initio Computational Study on Fe2NiP Schreibersite: Bulk and Surface Characterization. ACS Earth Sp. Chem. 2021, 5, 1741–1751. IF 3,556

Pantaleone, S.; Enrique-Romero, J.; Ceccarelli, C.; Ferrero, S.; Balucani, N.; Rimola, A.; Ugliengo, P. H2 Formation on Interstellar Grains and the Fate of Reaction Energy. Astrophys. J. 2021, 917, 49.  IF 5,521


Pantaleone, S.; Rimola, A.; Ugliengo, P.; Sodupe, M. First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2 (101) Anatase Surface Adopting a Full Periodic Approach. J. Chem. Inf. Model. 2021, 61, 5484–5498. IF 6,162

Recio, P.; Marchione, D.; Caracciolo, A.; Murray, V.J.; Mancini, L.; Rosi, M.; Casavecchia, P.; Balucani, N. A Crossed Molecular Beam Investigation of the N (2D)+ Pyridine Reaction and Implications for Prebiotic Chemistry. Chem. Phys. Lett. 2021, 779, 138852. IF 2,719

Rimola, A.; Ceccarelli, C.; Balucani, N.; Ugliengo, P. Interaction of HCO+ Cations with Interstellar Negative Grains. Quantum Chemical Investigation and Astrophysical Implications. Front. Astron. Sp. Sci. 2021, 8, 655405. IF 4,055


Rimola A., Ferrero S., Germain A., Corno M., Ugliengo P. Computational surface modelling of ices and minerals of interstellar interest insights and perspectives. Minerals. 2021, 26. IF 2,818

Tinacci, L.; Pantaleone, S.; Maranzana, A.; Balucani, N.; Ceccarelli, C.; Ugliengo, P. Structures and Properties of Known and Postulated Interstellar Cations. Astrophys. J. Suppl. Ser. 2021, 256, 35. IF 9,200

Vladilo, G. Astrobiology beyond the Solar System. Mem. della Soc. Astron. Ital. J. Ital. Astron. Soc. 2021, 107.


Yang, Q.; Fusè, M.; Bloino, J.; Barone, V. Interplay of Stereo-Electronic, Vibronic and Environmental Effects in Tuning the Chiroptical Properties of an Ir (III) Cyclometalated N-Heterocyclic Carbene. Spectrochim. Acta Part A Mol. Biomol. Spectrosc. 2021, 254, 119631. IF 4,831



Alessandrini S., Barone V., Puzzarini C. Extension of the “Cheap” composite approach to noncovalent interactions: the Jun-ChS scheme. J. Chem. Theory Comput. 2020, 16, 988-1006. IF 6,578


Aureli, L.; Pacelli, C.; Cassaro, A.; Fujimori, A.; Moeller, R.; Onofri, S. Iron Ion Particle Radiation Resistance of Dried Colonies of Cryomyces antarcticus Embedded in Martian Regolith Analogues. Life 2020, 10, 306. IF 3,253

Balbi, A.; Grimaldi, C. Quantifying the Information Impact of Future Searches for Exoplanetary Biosignatures. Proc. Natl. Acad. Sci. 2020, 117, 21031–21036. IF 12,779

Balbi, A.; Hami, M.; Kovačević, A. The Habitability of the Galactic Bulge. Life 2020, 10, 132. IF 3,253

Battistuzzi, M.; Cocola, L.; Salasnich, B.; Erculiani, M.S.; Alei, E.; Morosinotto, T.; Claudi, R.; Poletto, L.; La Rocca, N. A New Remote Sensing-Based System for the Monitoring and Analysis of Growth and Gas Exchange Rates of Photosynthetic Microorganisms under Simulated Non-Terrestrial Conditions. Front. Plant Sci. 2020, 182. IF 6,627

Bizzarri, B.M.; Manini, P.; Lino, V.; d’Ischia, M.; Kapralov, M.; Krasavin, E.; Mráziková, K.; Šponer, J.; Šponer, J.E.; Di Mauro, E. HighEnergy ProtonBeamInduced Polymerization/Oxygenation of Hydroxynaphthalenes on Meteorites and Nitrogen Transfer from Urea: Modeling Insoluble Organic Matter? Chem. Eur. J. 2020, 26, 14919–14928. IF 5,020

Bizzarri, B.M.; Šponer, J.E.; Šponer, J.; Cassone, G.; Kapralov, M.; Timoshenko, G.N.; Krasavin, E.; Fanelli, G.; Timperio, A.M.; Di Mauro, E. MeteoriteAssisted Phosphorylation of Adenosine Under Proton Irradiation Conditions. ChemSystemsChem 2020, 2, e1900039.

Corazzi, M.A.; Fedele, D.; Poggiali, G.; Brucato, J.R. Photoprocessing of Formamide Ice: Route towards Prebiotic Chemistry in Space. Astron. Astrophys. 2020, 636, A63. IF 6,240

Costanzo, G.; Cirigliano, A.; Pino, S.; Giorgi, A.; Šedo, O.; Zdráhal, Z.; Stadlbauer, P.; Šponer, J.; Šponer, J.E.; Di Mauro, E. Primitive RNA-Catalysis with Guanine-Rich Oligonucleotide Sequences–the Case of a (GGC) 3 Nonamer. bioRxiv 2020.

Iacono, R.; Cobucci-Ponzano, B.; De Lise, F.; Curci, N.; Maurelli, L.; Moracci, M.; Strazzulli, A. Spatial Metagenomics of Three Geothermal Sites in Pisciarelli Hot Spring Focusing on the Biochemical Resources of the Microbial Consortia. Molecules 2020, 25, 4023. IF 4,927

Lei, J.; Alessandrini, S.; Chen, J.; Zheng, Y.; Spada, L.; Gou, Q.; Puzzarini, C.; Barone, V. Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex. Molecules 2020, 25, 4899. IF 4,927

Lupi, J.; Puzzarini, C.; Barone, V. Methanimine as a Key Precursor of Imines in the Interstellar Medium: The Case of Propargylimine. Astrophys. J. Lett. 2020, 903, L35. IF 8,811

Mancini, L.; Aragão, E.V.F. de; Rosi, M.; Skouteris, D.; Balucani, N. A Theoretical Investigation of the Reactions of N (2 D) with Small Alkynes and Implications for the Prebiotic Chemistry of Titan. In Proceedings of the International Conference on Computational Science and Its Applications; Springer, 2020; pp. 717–729.

Melli, A.; Potenti, S.; Melosso, M.; Herbers, S.; Spada, L.; Gualandi, A.; Lengsfeld, K.G.; Dore, L.; Buschmann, P.; Cozzi, P.G. A Journey from Thermally Tunable Synthesis to Spectroscopy of Phenylmethanimine in Gas Phase and Solution. Chem. Eur. J. 2020, 26, 15016–15022. IF 5,020

Murante, G.; Provenzale, A.; Vladilo, G.; Taffoni, G.; Silva, L.; Palazzi, E.; Hardenberg, J. von; Maris, M.; Londero, E.; Knapic, C. Climate Bistability of Earth-like Exoplanets. Mon. Not. R. Astron. Soc. 2020, 492, 2638–2650. IF 5,235


Nandi S., Ballotta B., Rampino S., Barone V. A General User-Friendly Tool for Kinetic Calculations of Multi-Step Reactions within the Virtual Multifrequency Spectrometer Project. Appl. Sci. Basel. 2020, 10, 1872. IF 2,838

Onofri, S.; Balucani, N.; Barone, V.; Benedetti, P.; Billi, D.; Balbi, A.; Brucato, J.R.; Cobucci-Ponzano, B.; Costanzo, G.; La Rocca, N.; et al. The Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles. Astrobiology 2020, 20, 580–582. IF 4,280

Pacelli, C.; Cassaro, A.; Aureli, L.; Moeller, R.; Fujimori, A.; Onofri, S. The Responses of the Black Fungus Cryomyces antarcticus to High Doses of Accelerated Helium Ions Radiation within Martian Regolith Simulants and Their Relevance for Mars. Life 2020, 10, 130. IF 3,253


Pacelli, C.; Cassaro, A.; Maturilli, A.; Timperio, A.M.; Gevi, F.; Cavalazzi, B.; Stefan, M.; Ghica, D.; Onofri, S. Multidisciplinary Characterization of Melanin Pigments from the Black Fungus Cryomyces antarcticus. Appl. Microbiol. Biotechnol. 2020, 104, 6385–6395. IF 5,566

Pacetti, E.; Balbi, A.; Lingam, M.; Tombesi, F.; Perlman, E. The Impact of Tidal Disruption Events on Galactic Habitability. Mon. Not. R. Astron. Soc. 2020, 498, 3153–3157. IF 5,235

Poggiali, G.; Fornaro, T.; Potenti, S.; Corazzi, M.A.; Brucato, J.R. Ultraviolet Photoprocessing of Glycine Adsorbed on Various Space-Relevant Minerals. Front. Astron. Sp. Sci. 2020, 7, 18.  IF 4,055

Rosi, M.; Pacifici, L.; Skouteris, D.; Caracciolo, A.; Casavecchia, P.; Falcinelli, S.; Balucani, N. A Computational Study on the Insertion of N (2 D) into a C—H or C—C Bond: The Reactions of N (2 D) with Benzene and Toluene and Their Implications on the Chemistry of Titan. In Proceedings of the International Conference on Computational Science and Its Applications; Springer, 2020; pp. 744–755.

Signorile, M.; Pantaleone, S.; Balucani, N.; Bonino, F.; Martra, G.; Ugliengo, P. Monitoring the Reactivity of Formamide on Amorphous SiO2 by In-Situ UV-Raman Spectroscopy and DFT Modeling. Molecules 2020, 25, 2274.  IF 4,927

Simonetti, P.; Vladilo, G.; Silva, L.; Sozzetti, A. Statistical Properties of Habitable Zones in Stellar Binary Systems. Astrophys. J. 2020, 903, 141. IF 5,521

Tonolo, F.; Lupi, J.; Puzzarini, C.; Barone, V. The Quest for a Plausible Formation Route of Formyl Cyanide in the Interstellar Medium: A State-of-the-Art Quantum-Chemical and Kinetic Approach. Astrophys. J. 2020, 900, 85. IF 5,521 



Cosciotti, B.; Balbi, A.; Ceccarelli, A.; Fagliarone, C.; Mattei, E.; Lauro, S.E.; Di Paolo, F.; Pettinelli, E.; Billi, D. Survivability of Anhydrobiotic Cyanobacteria in Salty Ice: Implications for the Habitability of Icy Worlds. Life 2019, 9, 86. IF 3,253

Ramirez, R.M.; Abbot, D.S.; Fujii, Y.; Hamano, K.; Kite, E.; Levi, A.; Lingam, M.; Lueftinger, T.; Robinson, T.D.; Rushby, A.; Schaefer, L.; Tasker, E.; Vladilo, G.; Wordsworth, R.D. Habitable Zone Predictions and How to Test Them. Bull. Am. Astron. Soc. 2019, 51, 31.


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