Sfoglia per Autore
Microwave, high-resolution infrared, and quantum chemical investigations of CHBrF2: ground and v4 = 1 states
2011 Cazzoli, Gabriele; Cludi, Lino; Puzzarini, Cristina; Stoppa, Paolo; Pietropolli Charmet, Andrea; Tasinato, Nicola; Baldacci, Agostino; Baldan, Alessandro; Giorgianni, Santi; Wugt Larsen, René; Stopkowicz, Stella; Gauss, Jürgen
A complete listing of sulfur dioxide self-broadening coefficients for atmospheric applications by coupling infrared and microwave spectroscopy to semiclassical calculations
2013 Tasinato, Nicola; Charmet, Andrea Pietropolli; Stoppa, Paolo; Buffa, Giovanni; Puzzarini, Cristina
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical
2013 Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Egidi, Franco; Puzzarini, Cristina
Self-, N2-, O2-broadening coefficients and line parameters of HFC-32 forν7band and ground state transitions from infrared and microwave spectroscopy
2014 Tasinato, Nicola; Turchetto, Arianna; Puzzarini, Cristina; Stoppa, Paolo; Charmet, Andrea Pietropolli; Giorgianni, Santi
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment
2014 Puzzarini, Cristina; Penocchio, Emanuele; Biczysko, MALGORZATA AGNIESZKA; Barone, Vincenzo
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane
2014 Barone, Vincenzo; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Puzzarini, Cristina
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules
2015 Barone, Vincenzo; Biczysko, MALGORZATA AGNIESZKA; Puzzarini, Cristina
CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study
2015 Barone, V.; Biczysko, M.; Bloino, J.; Cimino, P.; Penocchio, E.; Puzzarini, C.
Structural and Energetic Characterization of Prebiotic Molecules: The Case Study of Formamide and Its Dimer
2016 Alessandrini, Silvia; Puzzarini, Cristina
Correction to Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules
2016 Piccardo, Matteo; Penocchio, Emanuele; Puzzarini, Cristina; Biczysko, Malgorzata; Barone, Vincenzo
Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study
2017 Spada, Lorenzo; Tasinato, Nicola; Vazart, Fanny; Barone, Vincenzo; Caminati, Walther; Puzzarini, Cristina
Seeds of Life in Space (SOLIS): II. Formamide in protostellar shocks: Evidence for gas-phase formation
2017 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.
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
2017 Spada, Lorenzo; Tasinato, Nicola; Bosi, Giulio; Vazart, Fanny; Barone, Vincenzo; Puzzarini, Cristina
CO 2 -, He- and H 2 -broadening coefficients of SO 2 for ν 1 band and ground state transitions for astrophysical applications
2017 Ceselin, Giorgia; Tasinato, Nicola; Puzzarini, Cristina; Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi
Correct Modeling of Cisplatin: a Paradigmatic Case
2017 Tasinato, Nicola; Puzzarini, Cristina; Barone, Vincenzo
Spectroscopic Characterization of Key Aromatic and Heterocyclic Molecules: A Route toward the Origin of Life
2017 Puzzarini, Cristina; Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo; Murphy, Thomas E.; Drew, H. Dennis; Ali, Ashraf
New quantum chemical computations of formamide deuteration support a gas-phase formation of this prebiotic molecule
2017 Skouteris, D.; Vazart, F.; Ceccarelli, C.; Balucani, N.; Puzzarini, C.; Barone, V.
Collision induced broadening of ν 1 band and ground state spectral lines of sulfur dioxide perturbed by N 2 and O 2
2017 Ceselin, Giorgia; Tasinato, Nicola; Puzzarini, Cristina; Charmet, Andrea Pietropolli; Stoppa, Paolo; Giorgianni, Santi
Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study
2017 Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, Julien; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, MALGORZATA AGNIESZKA; Puzzarini, Cristina
Laboratory measurements and astronomical search for cyanomethanimine
2018 Melosso, M.; Melli, A.; Puzzarini, C.; Codella, Claudio; Spada, L.; Dore, L.; Degli Esposti, C.; Lefloch, B.; Bachiller, R.; Ceccarelli, C.; Cernicharo, J.; Barone, V.
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