List of Publications from the Rot&Comp Lab
Puzzarini C.; Barone V., Challenges in astrochemistry: The spectroscopic point of view: Comment on “Prebiotic chemistry and origins of life research with atomistic computer simulations” by A. Pérez-Villa, F. Pietrucci, and A.M. Saitta, «PHYSICS OF LIFE REVIEWS», 2020, 34-35, pp. 143 - 146 [Scientific article] Open Access
Jacopo Lupi; Cristina Puzzarini; Vincenzo Barone, Methanimine as a Key Precursor of Imines in the Interstellar Medium: The Case of Propargylimine, «THE ASTROPHYSICAL JOURNAL LETTERS», 2020, 903, pp. L35/1 - L35/7 [Scientific article] Open Access
Alessandrini S.; Dell'Isola V.; Spada L.; Barone V.; Puzzarini C., A computational journey in the CH2O2S land: an accurate rotational and ro-vibrational analysis of the sulfene molecule and the O,S- and O,O-monothiocarbonic acids, «MOLECULAR PHYSICS», 2020, 118, pp. e1766707/1 - e1766707/12 [Scientific article] Open Access
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, pp. 4899/1 - 4899/14 [Scientific article] Open Access
Puzzarini C., Prebiotic molecules in interstellar space: Rotational spectroscopy and quantum chemistry, in: Proceedings of the International Astronomical Union, Cambridge University Press, «PROCEEDINGS OF THE INTERNATIONAL ASTRONOMICAL UNION», 2020, 15, pp. 65 - 70 (atti di: Laboratory Astrophysics: from Observations to Interpretation, IAU Symposium No. 350, 2019, Cambridge, UK, 14-19/4/2019) [Contribution to conference proceedings] Open Access
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, «THE ASTROPHYSICAL JOURNAL», 2020, 900, pp. 85/1 - 85/9 [Scientific article] Open Access
Lupi J.; Puzzarini C.; Cavallotti C.; Barone V., State-of-the-Art Quantum Chemistry Meets Variable Reaction Coordinate Transition State Theory to Solve the Puzzling Case of the H2S + Cl System, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2020, 16, pp. 5090 - 5104 [Scientific article] Open Access
Puzzarini C.; Salta Z.; Tasinato N.; Lupi J.; Cavallotti C.; Barone V., A twist on the reaction of the CN radical with methylamine in the interstellar medium: New hints from a state-of-the-art quantum-chemical study, «MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY», 2020, 496, pp. 4298 - 4310 [Scientific article] Open Access
Baiano C.; Lupi J.; Tasinato N.; Puzzarini C.; Barone V., The role of state-of-the-art quantum-chemical calculations in astrochemistry: Formation route and spectroscopy of ethanimine as a paradigmatic case, «MOLECULES», 2020, 25, pp. 2873/1 - 2873/21 [Scientific article] Open Access
Gorai P.; Sil M.; Das A.; Sivaraman B.; Chakrabarti S.K.; Ioppolo S.; Puzzarini C.; Kanuchova Z.; Dawes A.; Mendolicchio M.; Mancini G.; Barone V.; Nakatani N.; Shimonishi T.; Mason N., Systematic Study on the Absorption Features of Interstellar Ices in the Presence of Impurities, «ACS EARTH AND SPACE CHEMISTRY», 2020, 4, pp. 920 - 946 [Scientific article] Open Access
Puzzarini, C, Grand Challenges in Astrochemistry, «FRONTIERS IN ASTRONOMY AND SPACE SCIENCES», 2020, 7, pp. 1 - 4 [Scientific article] Open Access
Puzzarini C.; Barone V., Collisional broadening and hyperfine structure of rotational transitions. Reply to the comments on “A never-ending story in the sky: The secrets of chemical evolution”, «PHYSICS OF LIFE REVIEWS», 2020, 32, pp. 124 - 128 [Scientific article] Open Access
Puzzarini C.; Barone V., A never-ending story in the sky: The secrets of chemical evolution, «PHYSICS OF LIFE REVIEWS», 2020, 32, pp. 59 - 94 [Scientific article] Open Access
Salta Z.; Tasinato N.; Lupi J.; Boussessi R.; Balbi A.; Puzzarini C.; Barone V., Exploring the Maze of C2N2H5Radicals and Their Fragments in the Interstellar Medium with the Help of Quantum-Chemical Computations, «ACS EARTH AND SPACE CHEMISTRY», 2020, 4, pp. 774 - 782 [Scientific article] Open Access
Puzzarini C.; Spada L.; Alessandrini S.; Barone V., The challenge of non-covalent interactions: Theory meets experiment for reconciling accuracy and interpretation, «JOURNAL OF PHYSICS. CONDENSED MATTER», 2020, 32, pp. 343002/1 - 343002/25 [Scientific article] Open Access
Ye H.; Mendolicchio M.; Kruse H.; Puzzarini C.; Biczysko M.; Barone V., The challenging equilibrium structure of HSSH: Another success of the rotational spectroscopy / quantum chemistry synergism, «JOURNAL OF MOLECULAR STRUCTURE», 2020, 1211, pp. 127933/1 - 127933/10 [Scientific article] Open Access
Puzzarini C.; Barone V., The challenging playground of astrochemistry: An integrated rotational spectroscopy-quantum chemistry strategy, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2020, 22, pp. 6507 - 6523 [Scientific article] Open Access
Chen J.; Zheng Y.; Melli A.; Spada L.; Lu T.; Feng G.; Gou Q.; Barone V.; Puzzarini C., Theory meets experiment for elucidating the structure and stability of non-covalent complexes: Water-Amine interaction as a proof of concept, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2020, 22, pp. 5024 - 5032 [Scientific article] Open Access
Barone, Vincenzo; Puzzarini, Cristina, Looking for the bricks of the life in the interstellar medium: The fascinating world of astrochemistry, in: Joint EPS-SIF International School on Energy. Course 5 – “Energy: Where we stand and where we go”, 2020, 246, pp. 1 - 23 (atti di: Joint EPS-SIF International School on Energy, Varenna, Lake Como, Italy, July 22-27, 2019) [Contribution to conference proceedings] Open Access
Onofri S.; Balucani N.; Barone V.; Benedetti P.; Billi D.; Balbi A.; Brucato J.R.; Cobucci-Ponzano B.; Costanzo G.; Rocca N.L.; Moracci M.; Saladino R.; Vladilo G.; Albertini N.; Battistuzzi M.; Bloino J.; Botta L.; Casavecchia P.; Cassaro A.; Claudi R.; Cocola L.; Coduti A.; Di Donato P.; Di Mauro E.; Dore L.; Falcinelli S.; Fulle M.; Ivanovski S.; Lombardi A.; Mancini G.; Maris M.; Maurelli L.; Murante G.; Negri R.; Pacelli C.; Pagano I.; Piccinino D.; Poletto L.; Prantera G.; Puzzarini C.; Rampino S.; Ripa C.; Rosi M.; Sanna M.; Selbmann L.; Silva L.; Skouteris D.; Strazzulli A.; Tasinato N.; Timperio A.M.; Tozzi A.; Tozzi G.P.; Trainotti L.; Ugliengo P.; Vaccaro L.; Zucconi L., The Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles, «ASTROBIOLOGY», 2020, 20, pp. 580 - 582 [Scientific article] Open Access