List of Publications from the Rot&Comp Lab
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]
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]
A. Pietropolli Charmet, P. Stoppa, F. Tamassia, E. Canè, M. Melosso, L. Dore, HIGH-RESOLUTION FTIR AND MICROWAVE STUDIES OF TRIFLUOROETHENE: ANALYSIS OF THE GROUND, v9=1 AND v6=1 STATES, in: The Twenty-sixth Colloquium on High Resolution Molecular Spectroscopy, Dijon, 2019, pp. 235 - 235 (atti di: The Twenty-sixth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 26-30, 2019) [Poster]
Melosso M.; McGuire B.A.; Tamassia F.; Degli Esposti C.; Dore L., Astronomical Search of Vinyl Alcohol Assisted by Submillimeter Spectroscopy, «ACS EARTH AND SPACE CHEMISTRY», 2019, 3, pp. 1189 - 1195 [Scientific article]
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]
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]
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, pp. 4079-1 - 4079-16 [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]
Pietropolli Charmet A.; Bizzocchi L.; Giuliano B.M.; Caselli P.; Craig N.C.; Krasnoshchekov S.V., Disentangling the IR spectra of 2,3,3,3-tetrafluoropropene using an ab initio description of vibrational polyads by means of canonical Van Vleck perturbation theory, «JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER», 2019, 239, pp. 106656 - 106656 [Scientific article]
Nagy, Z.; Spezzano, S.; Caselli, P.; Vasyunin, A.; Tafalla, M.; Bizzocchi, L.; Prudenzano, D.; Redaelli, E., The chemical structure of the very young starless core L1521E, «ASTRONOMY & ASTROPHYSICS», 2019, 630, pp. A136 - A136 [Scientific article]
Redaelli E.; Bizzocchi L.; Caselli P.; Sipila O.; Lattanzi V.; Giuliano B.M.; Spezzano S., High-sensitivity maps of molecular ions in L1544: I. Deuteration of N2H+ and HCO+ and primary evidence of N2D+ depletion, «ASTRONOMY & ASTROPHYSICS», 2019, 629, pp. A15 - A15 [Scientific article] Open Access
Giuliano B.M.; Bizzocchi L.; Pietropolli Charmet A.; Arenas B.E.; Steber A.L.; Schnell M.; Caselli P.; Harris B.J.; Pate B.H.; Guillemin J.-C.; Belloche A., Rotational spectroscopy of imidazole: Improved rest frequencies for astrophysical searches, «ASTRONOMY & ASTROPHYSICS», 2019, 628, pp. A53 - A53 [Scientific article]
Prudenzano D.; Lique F.; Ramachandran R.; Bizzocchi L.; Caselli P., Collisional excitation of NH(3ς-) by Ar: A new ab initio 3D potential energy surface and scattering calculations, «THE JOURNAL OF CHEMICAL PHYSICS», 2019, 150, pp. 214302 - 214302 [Scientific article]
Sipila O.; Caselli P.; Redaelli E.; Juvela M.; Bizzocchi L., Why does ammonia not freeze out in the centre of pre-stellar cores?, «MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY», 2019, 487, pp. 1269 - 1282 [Scientific article]
Colzi, L.; Fontani, F.; Caselli, P.; Leurini, S.; Bizzocchi, L.; Quaia, G., First interferometric study of enhanced N-fractionation in N2H+: The high-mass star-forming region IRAS 05358+3543, «MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY», 2019, 485, pp. 5543 - 5558 [Scientific article]
Chacon-Tanarro A.; Pineda J.E.; Caselli P.; Bizzocchi L.; Gutermuth R.A.; Mason B.S.; Gomez-Ruiz A.I.; Harju J.; Devlin M.; Dicker S.R.; Mroczkowski T.; Romero C.E.; Sievers J.; Stanchfield S.; Offner S.; Sanchez-Arguelles D., Dust opacity variations in the pre-stellar core L1544, «ASTRONOMY & ASTROPHYSICS», 2019, 623, pp. A118 - A118 [Scientific article]
Chacon-Tanarro A.; Caselli P.; Bizzocchi L.; Pineda J.E.; Sipila O.; Vasyunin A.; Spezzano S.; Punanova A.; Giuliano B.M.; Lattanzi V., Mapping deuterated methanol toward L1544: I. Deuterium fraction and comparison with modeling, «ASTRONOMY & ASTROPHYSICS», 2019, 622, pp. A141 - A141 [Scientific article]
Chantzos J.; Spezzano S.; Endres C.; Bizzocchi L.; Lattanzi V.; Laas J.; Vasyunin A.; Caselli P., Rotational spectroscopy of the HCCO and DCCO radicals in the millimeter and submillimeter range, «ASTRONOMY & ASTROPHYSICS», 2019, 621, pp. A111 - A111 [Scientific article]
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, pp. A121-1 - A121-8 [Scientific article] Open Access