List of Publications from the Rot&Comp Lab
Tonolo, F; Bizzocchi, L; Rivilla, V M; Lique, F; Melosso, M; Puzzarini, C, Collisional excitation of PO+ by para-H2: potential energy surface, scattering calculations, and astrophysical applications, «MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY», 2024, 527, pp. 2279 - 2287 [Scientific article] Open Access
Ye H.; Alessandrini S.; Puzzarini C., On the General Mechanism for the Gas-phase Reaction of Methanimine with a Radical Species in the Interstellar Medium: Some Failures and an Important Success, «THE ASTROPHYSICAL JOURNAL», 2024, 962, pp. 1 - 14 [Scientific article] Open Access
Puzzarini C.; Alessandrini S., Interstellar Ices: A Factory of the Origin-of-Life Molecules, «ACS CENTRAL SCIENCE», 2024, 10, pp. 13 - 15 [Scientific article] Open Access
Sharma, MK; Melosso, M; Chandra, S, Potential spectral lines of ethanimine (CH3CHNH)- an important possible precursor of amino acids, «NEW ASTRONOMY», 2023, 98, pp. 1 - 8 [Scientific article]
Alberton, D.; Bizzocchi, L.; Jiang, N.; Melosso, M.; Rivilla, V. M.; Charmet, A. Pietropolli; Giuliano, B. M.; Caselli, P.; Puzzarini, C.; Alessandrini, S.; Dore, L.; Jiménez-Serra, I.; Martín-Pintado, J., Laboratory spectroscopy of allylimine and tentative detection towards the G+0.693-0.027 molecular cloud, «ASTRONOMY & ASTROPHYSICS», 2023, 669, pp. 1 - 11 [Scientific article] Open Access
Jiang, Ningjing; Melosso, Mattia; Alessandrini, Silvia; Bizzocchi, Luca; Martin-Drumel, Marie-Aline; Pirali, Olivier; Puzzarini, Cristina, Insights into the molecular structure and infrared spectrum of the prebiotic species aminoacetonitrile, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2023, 25, pp. 4754 - 4763 [Scientific article] Open Access
Barone V.; Fusè M.; Aguado R.; Potenti S.; León I.; Alonso E.R.; Mata S.; Lazzari F.; Mancini G.; Spada L.; Gualandi A.; Cozzi P.G.; Puzzarini C.; Alonso J.L., Bringing Machine-Learning Enhanced Quantum Chemistry and Microwave Spectroscopy to Conformational Landscape Exploration: the Paradigmatic Case of 4-Fluoro-Threonine, «CHEMISTRY-A EUROPEAN JOURNAL», 2023, 29, pp. 1 - 12 [Scientific article] Open Access
Bernardo Ballotta; Tainah D. Marforio; Sergio Rampino; Emilio Martínez-Núñez; Vincenzo Barone; Mattia Melosso; Andrea Bottoni; Luca Dore, Toward the Detection of Cyanoketene in the Interstellar Medium: New Hints from Quantum Chemistry and Rotational Spectroscopy, «ACS EARTH AND SPACE CHEMISTRY», 2023, 7, pp. 1172 - 1180 [Scientific article] Open Access
Melosso M.; Alessandrini S.; Spada L.; Melli A.; Wang X.; Zheng Y.; Duan C.; Li J.; Du W.; Gou Q.; Bizzocchi L.; Dore L.; Barone V.; Puzzarini C., Rotational spectra and semi-experimental structures of furonitrile and its water cluster, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2023, 25, pp. 31281 - 31291 [Scientific article] Open Access
Spaniol J.-T.; Lee K.L.K.; Pirali O.; Puzzarini C.; Martin-Drumel M.-A., A rotational investigation of the three isomeric forms of cyanoethynylbenzene (HCC-C6H4-CN): benchmarking experiments and calculations using the “Lego brick” approach, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2023, 25, pp. 6397 - 6405 [Scientific article] Open Access
Ye H.; Alessandrini S.; Puzzarini C., Gas-phase formation route for trans-HC(O)SH and its isomers under interstellar conditions: a state-of-the-art quantum-chemical study, «MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY», 2023, 525, pp. 1158 - 1166 [Scientific article]
de Lara-Castells M.P.; Puzzarini C.; Bonacic-Koutecky V.; Lopez-Quintela M.A.; Vajda S., Stability and properties of new-generation metal and metal-oxide clusters down to subnanometer scale, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2023, 25, pp. 15081 - 15084 [Scientific article]
Barone V.; Puzzarini C., Gas-Phase Computational Spectroscopy: The Challenge of the Molecular Bricks of Life, «ANNUAL REVIEW OF PHYSICAL CHEMISTRY», 2023, 74, pp. 29 - 52 [Scientific article] Open Access
Marcelino N.; Puzzarini C.; Agundez M.; Fuentetaja R.; Tercero B.; De Vicente P.; Cernicharo J., First detection of the HSO radical in space, «ASTRONOMY & ASTROPHYSICS», 2023, 674, pp. 1 - 8 [Scientific article] Open Access
Balucani N.; Brann M.; Brunken S.; Ceccarelli C.; Cordiner M.; Crump E.M.; Douglas K.M.; Fleisher A.J.; Flint A.; Fulker J.; Garrod R.T.; Gudipati M.S.; Gupta D.; Halpern J.; Heard D.E.; Herbst E.; Hockey E.K.; Huang K.-Y.; Jacovella U.; Kamp I.; Lemmens A.K.; Madhusudhan N.; McCoustra M.R.S.; McGuire B.; Meijer A.; Puzzarini C.; Rap D.B.; Sims I.R.; Stockett M.H.; Sturm A.; Suits A.G.; van Dishoeck E.F.; Viti S.; Walker N.; Widicus Weaver S.; Wiesenfeld L.; Wilkins O.H., Laboratory astrochemistry of the gas phase: general discussion, «FARADAY DISCUSSIONS», 2023, 245, pp. 391 - 445 [Scientific article]
Puzzarini C.; Stanton J.F., Connections between the accuracy of rotational constants and equilibrium molecular structures, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2023, 25, pp. 1421 - 1429 [Scientific article] Open Access
Barone V.; Di Grande S.; Puzzarini C., Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks, «MOLECULES», 2023, 28, pp. 1 - 14 [Scientific article] Open Access
Puzzarini C.; Linguerri R.; Hochlaf M., Insights into the Molecular Structure and Spectroscopic Properties of HONCO: An Accurate Ab Initio Study, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2023, 127, pp. 9502 - 9512 [Scientific article] Open Access
Alessandrini, Silvia; Melosso, Mattia; Rivilla, Víctor M.; Bizzocchi, Luca; Puzzarini, Cristina, Computational Protocol for the Identification of Candidates for Radioastronomical Detection and Its Application to the C3H3NO Family of Isomers, «MOLECULES», 2023, 28, pp. 1 - 18 [Scientific article] Open Access
Alessandrini, Silvia; Bizzocchi, Luca; Melosso, Mattia; Puzzarini, Cristina, Protonation of apolar species: From Cl2H+ to (E)-NCCHCHCNH+ through computational investigations, «FRONTIERS IN ASTRONOMY AND SPACE SCIENCES», 2023, 10, pp. 1 - 13 [Scientific article] Open Access