Publications

Xu R.; Gouda A.; Caso M.F.; Soavi F.; Santato C., Light-enhanced Electrochemical Energy Storage of Synthetic Melanin on Conductive Glass Substrates, «MRS ADVANCES», 2020, 5, pp. 1441 - 1448 [Scientific article] Open Access

Giurlani W.; Sergi L.; Crestini E.; Calisi N.; Poli F.; Soavi F.; Innocenti M., Electrochemical stability of steel, Ti, and Cu current collectors in water-in-salt electrolyte for green batteries and supercapacitors, «JOURNAL OF SOLID STATE ELECTROCHEMISTRY», 2020, 26, pp. 85 - 95 [Scientific article] Open Access

Acocella A.; Marforio T.D.; Calvaresi M.; Bottoni A.; Zerbetto F., Electron Dynamics with Explicit-Time Density Functional Theory of the [4+2] Diels-Alder Reaction, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2020, 16, pp. 2172 - 2180 [Scientific article] Open Access

Calabrese C.; Maris A.; Vigorito A.; Mariotti S.; Fathi P.; Geppert W.D.; Melandri S., Structure, Dynamics, and Accurate Laboratory Rotational Frequencies of the Acrylonitrile-Methanol Complex, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2020, 124, pp. 3601 - 3608 [Scientific article] Open Access

J. An; M. Bandini, Recent advances in the catalytic dearomatization of naphthols, «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2020, 27, pp. 4087 - 4097 [Scientific article] Open Access

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

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