List of Publications from the Rot&Comp Lab
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
Redaelli, E.; Bizzocchi, L.; Caselli, P.; Harju, J.; Chacón-Tanarro, A.; Leonardo, E.; Dore, L., 14N/15N ratio measurements in prestellar cores with N2H+: New evidence of 15N-antifractionation, «ASTRONOMY & ASTROPHYSICS», 2018, 617, pp. A7-1 - A7-12 [Scientific article]
Bizzocchi, Luca; Melosso, Mattia; Dore, Luca; Esposti, Claudio Degli; Tamassia, Filippo; Prudenzano, Domenico; Lattanzi, Valerio; Laas, Jacob; Spezzano, Silvia; Giuliano, Barbara M.; Endres, Christian P.; Caselli, Paola, Accurate Laboratory Measurement of the Complete Fine Structure of the N = 1 - 0 Transition of 15NH, «THE ASTROPHYSICAL JOURNAL», 2018, 863, pp. 1 - 7 [Scientific article]
Luca Bizzocchi, Mattia Melosso, Filippo Tamassia, Luca Dore, Claudio Degli Esposti, Elisabetta Canè, Pure rotational spectrum of 15ND and isotopic-independent Dunham-type analysis of imidogen radical, in: The 25th International Conference on High Resolution Molecular Spectroscopy Abstract Book, 2018, pp. 123 - 123 (atti di: The 25th International Conference on High Resolution Molecular Spectroscopy, Bilbao, Spain, 03/09/2018-07/09/2018) [Abstract]
Mattia Melosso, Luca Dore, Claudio Degli Esposti, Filippo Tamassia, Elisabetta Canè, Luca Bizzocchi, TeraHerzt spectroscopy of isotopologues of amidogen radical, in: The 25th International Conference on High Resolution Molecular Spectroscopy Abstract Book, 2018, pp. 71 - 71 (atti di: The 25th International Conference on High Resolution Molecular Spectroscopy, Bilbao, Spain, 03/09/2018-07/09/2018) [Abstract]
Filippo Tamassia, Elisabetta Canè, Luca Dore, Claudio Degli Esposti, Mattia Melosso, Luca Bizzocchi, Jean-Claude Guillemin, The high -resolution spectrum of DC3N recorded in the infrared and millimeter-wave regions: a global analysis, in: The 25th International Conference on High Resolution Molecular Spectroscopy Abstract Book, 2018, pp. 75 - 75 (atti di: The 25th International Conference on High Resolution Molecular Spectroscopy, Bilbao, Spain, 03/09/2018-07/09/2018) [Abstract]
Dore L., Bizzocchi L., Canè E., Melosso M., Tamassia F., Anharmonic resonances in the IR spectrum of the interstellar molecule HC3N, in: Third conference on anharmonicity in medium-sized molecules and clusters - Book of Abstract, 2018, pp. 55 - 55 (atti di: Third conference on anharmonicity in medium-sized molecules and clusters, Budapest (Ungheria), 16-19 aprile 2018) [Abstract]
F. Tamassia, E Cané, L. Dore, C. Degli Esposti, M. Melosso, L. Bizzocchi, The experimental pure rotational spectrum of some substituted nitrogen hydrides. New lines and accurate analyses for 15ND2, 15ND and 15NH., in: The combined 15th HITRAN & 14th ASA Conference, 2018(atti di: The combined 15th HITRAN & 14th ASA Conference, Cambridge MA, USA, 13-15 Giugno 2018) [Poster]
Tamassia F, Cané E, Dore L, Degli Esposti C, Melosso M, Bizzocchi L, The experimental pure rotational spectrum of some substituted nitrogen hydrides. New lines and accurate analyses for 15ND2, 15ND and 15NH., in: XLVI Congresso della Divisione di Chimica Fisica, 2018, pp. 41 - 41 (atti di: XLVI Congresso della Divisione di Chimica Fisica, Bologna, Italia, 25-28 Giugno) [Abstract]
Punanova, Anna; Caselli, Paola; FENG, SIYI; Chacón-Tanarro, Ana; Ceccarelli, Cecilia; Neri, Roberto; FONTANI, FRANCESCO; Jiménez-Serra, Izaskun; Vastel, Charlotte; Bizzocchi, Luca; Pon, Andy; Vasyunin, Anton I.; Spezzano, Silvia; Hily-Blant, Pierre; TESTI, Leonardo; VITI, SERENA; Yamamoto, Satoshi; Alves, Felipe; Bachiller, Rafael; Balucani, Nadia; BIANCHI, ELEONORA; Bottinelli, Sandrine; Caux, Emmanuel; Choudhury, Rumpa; CODELLA, CLAUDIO; Dulieu, François; FAVRE, CÉCILE; Holdship, Jonathan; Jaber Al-Edhari, Ali; Kahane, Claudine; Laas, Jake; LeFloch, Bertrand; López-Sepulcre, Ana; Ospina-Zamudio, Juan; Oya, Yoko; Pineda, Jaime E.; PODIO, LINDA; Quenard, Davide; Rimola, Albert; Sakai, Nami; Sims, Ian R.; Taquet, Vianney; Theulé, Patrice; Ugliengo, Piero, Seeds of Life in Space (SOLIS). III. Zooming Into the Methanol Peak of the Prestellar Core L1544, «THE ASTROPHYSICAL JOURNAL», 2018, 855, pp. 112 - 124 [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]
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, pp. 144303/1 - 144303/13 [Scientific article]
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]
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
Degli Esposti, Claudio; Dore, Luca; Melosso, Mattia; Kobayashi, Kaori; Fujita, Chiho; Ozeki, Hiroyuki, Millimeter-wave and Submillimeter-wave Spectra of Aminoacetonitrile in the Three Lowest Vibrational Excited States, «ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES», 2017, 230, pp. 26 - 32 [Scientific article]
Dore, L.; Bizzocchi, L.; Wirstrom, E. S.; Degli Esposti, C.; Tamassia, F.; Charnley, S. B., Doubly 15N-substituted diazenylium: THz laboratory spectra and fractionation models, «ASTRONOMY & ASTROPHYSICS», 2017, 604, pp. 1 - 5 [Scientific article]