PUZZARINI, Cristina
PUZZARINI, Cristina
Scuola Normale Superiore
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution
2021 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 Tasinato, Nicola; Charmet, Andrea Pietropolli; Stoppa, Paolo; Buffa, Giovanni; Puzzarini, Cristina
A Journey from Thermally Tunable Synthesis to Spectroscopy of Phenylmethanimine in Gas Phase and Solution
2020 Melli, Alessio; Potenti, Simone; Melosso, Mattia; Herbers, Sven; Spada, Lorenzo; Gualandi, Andrea; Lengsfeld, Kevin G.; Dore, Luca; Buschmann, Philipp; Cozzi, Pier Giorgio; Grabow, Jens-Uwe; Barone, Vincenzo; Puzzarini, Cristina
A never-ending story in the sky: The secrets of chemical evolution
2019 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 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 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 Alessandrini, Silvia; Gauss, Jürgen; Puzzarini, Cristina
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
Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states
2018 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 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 Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, Julien; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, MALGORZATA AGNIESZKA; Puzzarini, Cristina
An improved study of HCO+ and He system: Interaction potential, collisional relaxation, and pressure broadening
2021 Tonolo, Francesca; Bizzocchi, Luca; Melosso, Mattia; Lique, F.; Dore, L.; Barone, Vincenzo; 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.
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
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
Collisional excitation of PO+ by para-H2: potential energy surface, scattering calculations, and astrophysical applications
2024 Tonolo, F.; Bizzocchi, L.; Rivilla, V. M.; Lique, F.; Melosso, M.; Puzzarini, C.
Computational challenges in Astrochemistry
2018 Biczysko, Malgorzata; Bloino, Julien; Puzzarini, Cristina
Correct Modeling of Cisplatin: a Paradigmatic Case
2017 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 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 Puzzarini, Cristina; Barone, Vincenzo