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
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.; 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, Article number: 343002 , 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, Article number: 127933 , 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
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
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, Article number: 85 , pp. 85/1 - 85/9 [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, Article number: 25122873 , pp. 2873/1 - 2873/21 [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
Puzzarini, C.; Bloino, J.; Tasinato, N.; Barone, V., Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy, «CHEMICAL REVIEWS», 2019, 119, pp. 8131 - 8191 [Scientific article]
d'Ischia M.; Manini P.; Moracci M.; Saladino R.; Ball V.; Thissen H.; Evans R.A.; Puzzarini C.; Barone V., Astrochemistry and astrobiology: Materials science in wonderland?, «INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES», 2019, 20, Article number: 4079 , pp. 4079-1 - 4079-16 [Scientific article]
Puzzarini, Cristina*; De Lara-Castells, Maria Pilar; Ramos, Maria J., Challenges in spectroscopy: Accuracy: versus interpretation from isolated molecules to condensed phases, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2019, 21, pp. 3395 - 3396 [Scientific article]
Barone V.; Puzzarini C., Interpretability meets accuracy in computational spectroscopy: The virtual multifrequency spectrometer, in: Molecular Spectroscopy: A Quantum Chemistry Approach, Weinheim, Germany, Wiley-VCH, 2019, pp. 1 - 42 [Chapter or essay]
Puzzarini, Cristina*; Tasinato, Nicola; Bloino, Julien; Spada, Lorenzo; Barone, Vincenzo, State-of-the-art computation of the rotational and IR spectra of the methyl-cyclopropyl cation: Hints on its detection in space, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2019, 21, pp. 3431 - 3439 [Scientific article]
Wang J.; Spada L.; Chen J.; Gao S.; Alessandrini S.; Feng G.; Puzzarini C.; Gou Q.; Grabow J.-U.; Barone V., The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy, «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2019, 58, pp. 13935 - 13941 [Scientific article]
