PUZZARINI, Cristina
PUZZARINI, Cristina
Scuola Normale Superiore
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution
2021-01-01 Potenti, S.; Spada, L.; Fuse', M.; Mancini, G.; Gualandi, A.; Leonardi, C.; Cozzi, P. G.; Puzzarini, C.; Barone, V.
A complete listing of sulfur dioxide self-broadening coefficients for atmospheric applications by coupling infrared and microwave spectroscopy to semiclassical calculations
2013-01-01 Tasinato, Nicola; Charmet, Andrea Pietropolli; Stoppa, Paolo; Buffa, Giovanni; Puzzarini, Cristina
A never-ending story in the sky: The secrets of chemical evolution
2019-01-01 Puzzarini, C.; Barone, V.
A twist on the reaction of the CN radical with methylamine in the interstellar medium: New hints from a state-of-the-art quantum-chemical study
2020-01-01 Puzzarini, C.; Salta, Z.; Tasinato, N.; Lupi, J.; Cavallotti, C.; Barone, V.
Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy
2019-01-01 Puzzarini, C.; Bloino, J.; Tasinato, N.; Barone, V.
Accuracy of Rotational Parameters Predicted by High-Level Quantum-Chemical Calculations: Case Study of Sulfur-Containing Molecules of Astrochemical Interest
2018-01-01 Alessandrini, Silvia; Gauss, Jürgen; Puzzarini, Cristina
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane
2014-01-01 Barone, Vincenzo; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Puzzarini, Cristina
Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states
2018-01-01 Degli Esposti, C.; Dore, L.; Puzzarini, C.; Biczysko, M.; Bloino, J.; Bizzocchi, L.; Lattanzi, V.; Grabow, J. -U.
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical
2013-01-01 Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Egidi, Franco; Puzzarini, Cristina
Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study
2017-01-01 Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, Julien; Tasinato, Nicola; Carnimeo, Ivan; 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
2015-01-01 Barone, V.; Biczysko, M.; Bloino, J.; Cimino, P.; Penocchio, E.; Puzzarini, C.
CO 2 -, He- and H 2 -broadening coefficients of SO 2 for ν 1 band and ground state transitions for astrophysical applications
2017-01-01 Ceselin, Giorgia; Tasinato, Nicola; Puzzarini, Cristina; Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi
Collision induced broadening of ν 1 band and ground state spectral lines of sulfur dioxide perturbed by N 2 and O 2
2017-01-01 Ceselin, Giorgia; Tasinato, Nicola; Puzzarini, Cristina; Charmet, Andrea Pietropolli; Stoppa, Paolo; Giorgianni, Santi
Computational challenges in Astrochemistry
2018-01-01 Biczysko, Malgorzata; Bloino, Julien; Puzzarini, Cristina
Correct Modeling of Cisplatin: a Paradigmatic Case
2017-01-01 Tasinato, Nicola; Puzzarini, Cristina; Barone, Vincenzo
Correction to Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules
2016-01-01 Piccardo, Matteo; Penocchio, Emanuele; Puzzarini, Cristina; Biczysko, Malgorzata; Barone, Vincenzo
Diving for Accurate Structures in the Ocean of Molecular Systems with the Help of Spectroscopy and Quantum Chemistry
2018-01-01 Puzzarini, Cristina; Barone, Vincenzo
Erratum: The Italian national project of astrobiology-life in space-origin, presence, persistence of life in space, from molecules to extremophiles (Astrobiology (2020) 20:5 (580-582) DOI: 10.1089/ast.2020.2247)
2020-01-01 Onofri, S.; Balucani, N.; Barone, V.; Benedetti, P.; Billi, D.; Balbi, A.; Brucato, J. R.; Cobucci-Ponzano, B.; Costanzo, G.; Rocca, N. L.; Moracci, M.; Saladino, R.; Vladilo, G.; Albertini, N.; Battistuzzi, M.; Bloino, J.; Botta, L.; Casavecchia, P.; Cassaro, A.; Claudi, R.; Cocola, L.; Coduti, A.; Di Donato, P.; Di Mauro, E.; Dore, L.; Falcinelli, S.; Fulle, M.; Ivanovski, S.; Lombardi, A.; Mancini, G.; Maris, M.; Maurelli, L.; Murante, G.; Negri, R.; Pacelli, C.; Pagano, I.; Piccinino, D.; Poletto, L.; Prantera, G.; Puzzarini, C.; Rampino, S.; Ripa, C.; Rosi, M.; Sanna, M.; Selbmann, L.; Silva, L.; Skouteris, D.; Strazzulli, A.; Tasinato, N.; Timperio, A. M.; Tozzi, A.; Tozzi, G. P.; Trainotti, L.; Ugliengo, P.; Vaccaro, L.; Zucconi, L.
Exploring the Maze of C2N2H5 Radicals and Their Fragments in the Interstellar Medium with the Help of Quantum-Chemical Computations
2020-01-01 Salta, Zoi; Tasinato, Nicola; Lupi, Jacopo; Boussessi, Rahma; Balbi, Alice; Puzzarini, Cristina; Barone, Vincenzo
Exploring the maze of cycloserine conformers in the gas phase guided by microwave spectroscopy and quantum chemistry
2021-01-01 Alonso, E. R.; Fuse', M.; Leon, I.; Puzzarini, C.; Alonso, J. L.; Barone, V.