Li, Xiaolong; Spada, Lorenzo; Alessandrini, Silvia; Zheng, Yang; Lengsfeld, Kevin Gregor; Grabow, Jens‐Uwe; Feng, Gang; Puzzarini, Cristina; Barone, Vincenzo, Gestapelt, nicht geklebt: Enthüllung der π→π*‐Wechselwirkung mithilfe des Benzofuran‐Formaldehyd‐Komplexes, «ANGEWANDTE CHEMIE», 2021, 134, Article number: e202113737, pp. 1 - 7 [articolo]Open Access
Stoppa P.; Pietropolli Charmet A.; De Lorenzi A.; Tamassia F.; Melosso M.; Cane' E.; Dore L.; Puzzarini C., High resolution FTIR study of the ν5, ν6, and ν9 fundamental bands of CH2D37Cl, «JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER», 2021, 270, Article number: 107719, pp. 1 - 6 [articolo]Open Access
Ningjing Jiang, Mattia Melosso, Filippo Tamassia, Luca Bizzocchi, Luca Dore, Elisabetta Canè, Davide Fedele, Jean-Claude Guillemin, Cristina Puzzarini, High-Resolution Infrared Spectroscopy of DC3N in the Stretching Region, «FRONTIERS IN ASTRONOMY AND SPACE SCIENCES», 2021, 8, Article number: 656295, pp. 1 - 8 [articolo]Open Access
Melosso M.; Diouf M.L.; Bizzocchi L.; Harding M.E.; Cozijn F.M.J.; Puzzarini C.; Ubachs W., Hyperfine-Resolved Near-Infrared Spectra of H217O, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2021, 125, pp. 7884 - 7890 [articolo]Open Access
Melosso M.; Bizzocchi L.; Dore L.; Kisiel Z.; Jiang N.; Spezzano S.; Caselli P.; Gauss J.; Puzzarini C., Improved centrifugal and hyperfine analysis of ND2H and NH2D and its application to the spectral line survey of L1544, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2021, 377, Article number: 111431, pp. 111431-1 - 111431-8 [articolo]Open Access
Alessandrini S.; Tonolo F.; Puzzarini C., In search of phosphorus in astronomical environments: The reaction between the CP radical (X 2ς +) and methanimine, «THE JOURNAL OF CHEMICAL PHYSICS», 2021, 154, Article number: 054306, pp. 1 - 8 [articolo]Open Access
d'Ischia M.; Manini P.; Martins Z.; Remusat L.; O'D. Alexander C.M.; Puzzarini C.; Barone V.; Saladino R., Insoluble organic matter in chondrites: Archetypal melanin-like PAH-based multifunctionality at the origin of life?, «PHYSICS OF LIFE REVIEWS», 2021, 37, pp. 65 - 93 [articolo]Open Access
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, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2021, 23, pp. 17079 - 17096 [articolo]Open Access
Lupi J.; Alessandrini S.; Puzzarini C.; Barone V., JunChS and junChS-F12 Models: Parameter-free Efficient yet Accurate Composite Schemes for Energies and Structures of Noncovalent Complexes, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2021, 17, pp. 6974 - 6992 [articolo]Open Access
Leon I.; Tasinato N.; Spada L.; Alonso E.R.; Mata S.; Balbi A.; Puzzarini C.; Alonso J.L.; Barone V., Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy, «CHEMPLUSCHEM», 2021, 86, pp. 1374 - 1386 [articolo]Open Access
Sheng, M.; Silvestrini, F.; Biczysko, M.; Puzzarini, C., Structural and Vibrational Properties of Amino Acids from Composite Schemes and Double-Hybrid DFT: Hydrogen Bonding in Serine as a Test Case, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2021, 125, pp. 9099 - 9114 [articolo]Open Access
Melli, A.; Barone, V.; Puzzarini, C., Unveiling Bifunctional Hydrogen Bonding with the Help of Quantum Chemistry: The Imidazole-Water Adduct as Test Case, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2021, 125, pp. 2989 - 2998 [articolo]Open Access
Potenti, S.; Spada, L.; Fuse, M.; Mancini, G.; Gualandi, A.; Leonardi, C.; Cozzi, P. G.; Puzzarini, C.; Barone, V., 4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution, «ACS OMEGA», 2021, 6, pp. 13170 - 13181 [articolo]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, Article number: e1766707, pp. e1766707/1 - e1766707/12 [articolo]Open Access
Melli A.; Potenti S.; Melosso M.; Herbers S.; Spada L.; Gualandi A.; Lengsfeld K.G.; Dore L.; Buschmann P.; Cozzi P.G.; Grabow J.-U.; Barone V.; Puzzarini C., A Journey from Thermally Tunable Synthesis to Spectroscopy of Phenylmethanimine in Gas Phase and Solution, «CHEMISTRY-A EUROPEAN JOURNAL», 2020, 26, pp. 15016 - 15022 [articolo]Open Access
