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]
Fuse M.; Mazzeo G.; Longhi G.; Abbate S.; Masi M.; Evidente A.; Puzzarini C.; Barone V., Unbiased Determination of Absolute Configurations by vis-à-vis Comparison of Experimental and Simulated Spectra: The Challenging Case of Diplopyrone, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2019, 123, pp. 9230 - 9237 [Scientific article]
Alessandrini, Silvia; Gauss, Jürgen; Puzzarini, Cristina*, Accuracy of Rotational Parameters Predicted by High-Level Quantum-Chemical Calculations: Case Study of Sulfur-Containing Molecules of Astrochemical Interest, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2018, 14, pp. 5360 - 5371 [Scientific article]Open Access
Degli Esposti, C.; Dore, L.; Puzzarini, C.; Biczysko, M.; Bloino, J.; Bizzocchi, L.; Lattanzi, V.; Grabow, J.-U., Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states, «ASTRONOMY & ASTROPHYSICS», 2018, 615, Article number: A176 , pp. A176/1 - A176/10 [Scientific article]Open Access
Biczysko, Malgorzata; Bloino, Julien; Puzzarini, Cristina*, Computational challenges in Astrochemistry, «WILEY INTERDISCIPLINARY REVIEWS. COMPUTATIONAL MOLECULAR SCIENCE», 2018, 8, Article number: e1349 , pp. e1349/1 - e1349/38 [Scientific article]Open Access
Puzzarini, Cristina; Barone, Vincenzo, Diving for Accurate Structures in the Ocean of Molecular Systems with the Help of Spectroscopy and Quantum Chemistry, «ACCOUNTS OF CHEMICAL RESEARCH», 2018, 51, pp. 548 - 556 [Scientific article]Open Access
Melosso, M.; Melli, A.; Puzzarini, C.; Codella, C.; Spada, L.; Dore, L.; Degli Esposti, C.; Lefloch, B.; Bachiller, R.; Ceccarelli, C.; Cernicharo, J.; Barone, V., Laboratory measurements and astronomical search for cyanomethanimine., «ASTRONOMY & ASTROPHYSICS», 2018, 609, Article number: A121 , pp. A121-1 - A121-8 [Scientific article]Open Access
Melli, Alessio; Melosso, Mattia; Tasinato, Nicola; Bosi, Giulio; Spada, Lorenzo; Bloino, Julien; Mendolicchio, Marco; Dore, Luca; Barone, Vincenzo; Puzzarini, Cristina, Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection, «THE ASTROPHYSICAL JOURNAL», 2018, 855, pp. 123/1 - 123/10 [Scientific article]Open Access
Skouteris, Dimitrios; Balucani, Nadia; Ceccarelli, Cecilia; Vazart, Fanny; Puzzarini, Cristina; Barone, Vincenzo; Codella, Claudio; Lefloch, Bertrand, The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid, «THE ASTROPHYSICAL JOURNAL», 2018, 854, pp. 135 -1 - 135 - 10 [Scientific article]Open Access
