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
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
Puzzarini, Cristina; Biczysko, Malgorzata; Peterson, Kirk A.; Francisco, Joseph S.; Linguerri, Roberto*, Accurate spectroscopic characterization of the HOC(O)O radical: A route toward its experimental identification, «THE JOURNAL OF CHEMICAL PHYSICS», 2017, 147, Article number: 024302 , pp. 024302-1 - 024302-10 [Scientific article]
Pietropolli Charmet, Andrea*; Stoppa, Paolo; Giorgianni, Santi; Bloino, Julien; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, Malgorzata; Puzzarini, Cristina, Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2017, 121, pp. 3305 - 3317 [Scientific article]
Puzzarini, Cristina, Astronomical complex organic molecules: Quantum chemistry meets rotational spectroscopy, «INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY», 2017, 117, pp. 129 - 138 [Scientific article]
Linguerri, Roberto; Puzzarini, Cristina; Al Mogren, Muneerah Mogren; Francisco, Joseph S.; Hochlaf, Majdi, Benchmark study of the structural and spectroscopic parameters of the hydroxymethyl peroxy (HOCH2OO) radical and its decomposition reaction to HO2 and H2CO, «THE JOURNAL OF CHEMICAL PHYSICS», 2017, 146, Article number: 144303 , pp. 144303/1 - 144303/13 [Scientific article]
Ceselin, Giorgia; Tasinato, Nicola*; Puzzarini, Cristina; Charmet, Andrea Pietropolli; Stoppa, Paolo; Giorgianni, Santi, Collision induced broadening of ν1band and ground state spectral lines of sulfur dioxide perturbed by N2and O2, «JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER», 2017, 198, pp. 155 - 163 [Scientific article]
Tasinato, Nicola; Puzzarini, Cristina; Barone, Vincenzo*, Correct Modeling of Cisplatin: a Paradigmatic Case, «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2017, 56, pp. 13838 - 13841 [Scientific article]
Ceselin, Giorgia; Tasinato, Nicola*; Puzzarini, Cristina; Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi, CO2-, He- and H2-broadening coefficients of SO2for ν1band and ground state transitions for astrophysical applications, «JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER», 2017, 203, pp. 367 - 376 [Scientific article]
Skouteris, D.; Vazart, F.; Ceccarelli, C.; Balucani, N.; Puzzarini, C.; and Barone, V., New quantum chemical computations of formamide deuteration support gas-phase formation of this prebiotic molecule, «MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY», 2017, 468, pp. L1 - L5 [Scientific article]Open Access
Spada, Lorenzo; Tasinato, Nicola; Vazart, Fanny; Barone, Vincenzo; Caminati, Walther; Puzzarini, Cristina, Noncovalent Interactions and Internal Dynamics in Pyridine–Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study, «CHEMISTRY-A EUROPEAN JOURNAL», 2017, 23, pp. 4876 - 4883 [Scientific article]
Spada, Lorenzo*; Tasinato, Nicola; Bosi, Giulio; Vazart, Fanny; Barone, Vincenzo; Puzzarini, Cristina, On the competition between weak O-H...F and C-H...F hydrogen bonds, in cooperation with C-H...O contacts, in the difluoromethane - tert-butyl alcohol cluster, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2017, 337, pp. 90 - 95 [Scientific article]
Codella, C.; Ceccarelli, C.; Caselli, P.; Balucani, N.; Barone, V.; Fontani, F.; Lefloch, B.; Podio, L.; Viti, S.; Feng, S.; Bachiller, R.; Bianchi, E.; Dulieu, F.; Jiménez-Serra, I.; Holdship, J.; Neri, R.; Pineda, J.E.; Pon, A.; Sims, I.; Spezzano, S.; Vasyunin, A.I.; Alves, F.; Bizzocchi, L.; Bottinelli, S.; Caux, E.; Chacón-Tanarro, A.; Choudhury, R.; Coutens, A.; Favre, C.; Hily-Blant, P.; Kahane, C.; Jaber Al-Edhari, A.; Laas, J.; López-Sepulcre, A.; Ospina, J.; Oya, Y.; Punanova, A.; Puzzarini, C.; Quenard, D.; Rimola, A.; Sakai, N.; Skouteris, D.; Taquet, V.; Testi, L.; Theulé, P.; Ugliengo, P.; Vastel, C.; Vazart, F.; Wiesenfeld, L.; Yamamoto, S., Seeds of Life in Space (SOLIS): II. Formamide in protostellar shocks: Evidence for gas-phase formation, «ASTRONOMY & ASTROPHYSICS», 2017, 605, Article number: L3 , pp. L3 - 1 - L3 - 7 [Scientific article]Open Access
Puzzarini, Cristina; Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo; Murphy, Thomas E.; Drew, H. Dennis; Ali, Ashraf, Spectroscopic Characterization of Key Aromatic and Heterocyclic Molecules: A Route toward the Origin of Life, «THE ASTRONOMICAL JOURNAL», 2017, 154, Article number: 82 , pp. 82-1 - 82-10 [Scientific article]Open Access
Licari, Daniele; Tasinato, Nicola; Spada, Lorenzo; Puzzarini, Cristina; Barone, Vincenzo*, VMS-ROT: A New Module of the Virtual Multifrequency Spectrometer for Simulation, Interpretation, and Fitting of Rotational Spectra, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2017, 13, pp. 4382 - 4396 [Scientific article]Open Access
