Pubblicazioni del ROT&Comp Lab
Field-Theodore, Terri E.; Alessandrini, Silvia; Melosso, Mattia; Puzzarini, Cristina, Extension of the Lego-brick approach to protonated molecules, «CHEMICAL PHYSICS LETTERS», 2025, 868, pp. 1 - 11 [Articolo in rivista]
Puzzarini, C.; Ye, H.; Alessandrini, S., Isomerism of CH2SO: Accurate structural, energetic, and spectroscopic characterization, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2024, 45, pp. 777 - 786 [Articolo in rivista]
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 [Articolo in rivista] 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 [Articolo in rivista] Open Access
Puzzarini C.; Alessandrini S., Interstellar Ices: A Factory of the Origin-of-Life Molecules, «ACS CENTRAL SCIENCE», 2024, 10, pp. 13 - 15 [Articolo in rivista] Open Access
Nonne, Michela; Melosso, Mattia; Tonolo, Francesca; Bizzocchi, Luca; Alessandrini, Silvia; Guillemin, Jean-Claude; Dore, Luca; Puzzarini, Cristina, Tracing Prebiotic Molecules: Rotational Spectroscopy of Deuterated Glycolaldehyde and (Z)-1,2-Ethenediol, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2024, 128, pp. 4850 - 4858 [Articolo in rivista]
Bizzocchi, Luca; Tonolo, Francesca; Giuliano, Barbara M.; Caselli, Paola; Melosso, Mattia; Dore, Luca; Alessandrini, Silvia; Puzzarini, Cristina; Pietropolli Charmet, Andrea, Millimeter to THz Spectroscopy of HC18O+ and HC17O+: Accurate Rest Frequencies for Astrophysical Studies, «THE ASTROPHYSICAL JOURNAL», 2024, 970, pp. 1 - 8 [Articolo in rivista]
Alessandrini, Silvia; Melosso, Mattia; Bizzocchi, Luca; Barone, Vincenzo; Puzzarini, Cristina, The Semiexperimental Approach at Work: Equilibrium Structure of Radical Species, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2024, 128, pp. 5833 - 5855 [Articolo in rivista]
Alessandrini, Silvia; Ye, Hexu; Biczysko, Malgorzata; Puzzarini, Cristina, Describing the Disulfide Bond: From the Density Functional Theory and Back through the “Lego Brick” Approach, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2024, 128, pp. 9383 - 9397 [Articolo in rivista]
Puzzarini, Cristina; Alessandrini, Silvia, Carbamic acid and its dimer: A computational study, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2024, 45, pp. 2501 - 2512 [Articolo in rivista]
García de la Concepción, Juan; Cavallotti, Carlo; Barone, Vincenzo; Puzzarini, Cristina; Jiménez-Serra, Izaskun, Relevance of the P+O2 Reaction for PO Formation in Astrochemical Environments: Electronic Structure Calculations and Kinetic Simulations, «THE ASTROPHYSICAL JOURNAL», 2024, 963, pp. 142/1 - 142/12 [Articolo in rivista]
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 [Articolo in rivista] 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 [Articolo in rivista]
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 [Articolo in rivista] 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 [Articolo in rivista] 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 [Articolo in rivista] 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 [Articolo in rivista] 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 [Articolo in rivista] 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 [Articolo in rivista] 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 [Articolo in rivista]