List of Publications from the Rot&Comp Lab
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
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
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
Li, Weixing; Spada, Lorenzo; Tasinato, Nicola; Rampino, Sergio; Evangelisti, Luca; Gualandi, Andrea; Cozzi, Pier Giorgio; Melandri, Sonia; Barone, Vincenzo; Puzzarini, Cristina, Theory Meets Experiment for Noncovalent Complexes: The Puzzling Case of Pnicogen Interactions, «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2018, 57, pp. 13853 - 13857 [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
Biczysko, Malgorzata; Bloino, Julien; Puzzarini, Cristina*, Computational challenges in Astrochemistry, «WILEY INTERDISCIPLINARY REVIEWS. COMPUTATIONAL MOLECULAR SCIENCE», 2018, 8, pp. e1349/1 - e1349/38 [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, pp. A176/1 - A176/10 [Scientific article] Open Access
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
Obenchain, Daniel A.; Spada, Lorenzo; Alessandrini, Silvia; Rampino, Sergio; Herbers, Sven; Tasinato, Nicola; Mendolicchio, Marco; Kraus, Peter; Gauss, Jürgen; Puzzarini, Cristina; Grabow, Jens-Uwe*; Barone, Vincenzo, Unveiling the Sulfur–Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond, «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2018, 57, pp. 15822 - 15826 [Scientific article] Open Access