C
Cristina Puzzarini
Researcher at University of Bologna
Publications - 321
Citations - 8421
Cristina Puzzarini is an academic researcher from University of Bologna. The author has contributed to research in topics: Rotational spectroscopy & Hyperfine structure. The author has an hindex of 43, co-authored 284 publications receiving 7099 citations. Previous affiliations of Cristina Puzzarini include INAF & Scuola Normale Superiore di Pisa.
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Accurate Harmonic/Anharmonic Vibrational Frequencies for Open-Shell Systems: Performances of the B3LYP/N07D Model for Semirigid Free Radicals Benchmarked by CCSD(T) Computations.
TL;DR: A database of harmonic and anharmonic frequencies for small-sized free radicals containing atoms of the first two rows of the periodic table is built and the B3LYP/N07D model is validated, confirming previous suggestions about the remarkable reliability and reduced computational cost of this computational method.
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Accurate structure, thermodynamic and spectroscopic parameters from CC and CC/DFT schemes: the challenge of the conformational equilibrium in glycine
TL;DR: The structures, relative stabilities, and infrared spectra of the six low-energy conformers of glycine have been characterized using a state-of-the-art quantum-mechanical approach allowing the bond distances, conformational enthalpies and vibrational frequencies to be determined well within the chemical accuracy.
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Extending the molecular size in accurate quantum-chemical calculations: the equilibrium structure and spectroscopic properties of uracil
TL;DR: It has been proved that the computational procedure presented is able to provide parameters with the proper accuracy to support experimental investigations of large molecules of biological interest.
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Accurate Anharmonic Vibrational Frequencies for Uracil: The Performance of Composite Schemes and Hybrid CC/DFT Model
TL;DR: A hybrid CC/DFT approach has been employed, which will be proved to provide state-of-the-art results and is able to provide the proper accuracy to support experimental investigations of large molecules of biological interest.
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The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid
Dimitrios Skouteris,Nadia Balucani,Nadia Balucani,Nadia Balucani,Cecilia Ceccarelli,Fanny Vazart,Cristina Puzzarini,Cristina Puzzarini,Vincenzo Barone,Claudio Codella,Bertrand Lefloch +10 more
TL;DR: In this paper, a new scheme for the gas phase synthesis of glycolaldehyde, a species with a prebiotic potential and for which no gas-phase formation route was previously known, was proposed.