Foto del docente

Cristina Puzzarini

Full Professor

Department of Chemistry "Giacomo Ciamician"

Academic discipline: CHEM-02/A Physical Chemistry

Coordinator of PhD Programme in Chemistry

Publications

C. Puzzarini, Computational Approach to Rotational Spectroscopy, in: Computational Strategies for Spectroscopy: from Small Molecules to Nano Systems, HOBOKEN, John Wiley & Sons, Inc, 2011, pp. 263 - 307 [Chapter or essay]

C. Puzzarini; V. Barone, Extending the molecular size in accurate quantum-chemical calculations: the equilibrium structure and spectroscopic properties of uracil, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2011, 13, pp. 7158 - 7166 [Scientific article]

G. Cazzoli; A. Baldacci; A. Baldan; C. Puzzarini, Improved vibrational ground-state spectroscopic parameters of CH2FI and assignment the rotational spectrum of the v6=1 vibrational state, «MOLECULAR PHYSICS», 2011, 109, pp. 2245 - 2249 [Scientific article]

G. Cazzoli; L. Cludi; C. Puzzarini; P. Stoppa; A. Pietropolli Charmet; N. Tasinato; A. Baldacci; A. Baldan; S. Giorgianni; R. W. Larsen; S. Stopkowicz; J. Gauss, Microwave, High-Resolution Infrared, and Quantum-Chemical Investigations of CHBrF2: the Ground and v4 =1 States, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2011, 115, pp. 453 - 459 [Scientific article]

G. Cazzoli; C. Puzzarini; S. Stopkowicz; J. Gauss, PRECISE LABORATORY MEASUREMENTS OF TRANS-DCOOH AND TRANS-HCOOD FOR ASTROPHYSICAL OBSERVATIONS, «ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES», 2011, 196, pp. 10 - 16 [Scientific article]

C. Puzzarini, Rotational spectroscopy and astrophysical investigations: the role of quantum-chemical calculations, in: XXIV Congresso Nazionale della Società Chimica Italiana. Atti del Congresso., LECCE, UNIVERSITA' DEL SALENTO. COORDINAMENTO SIBA, 2011, pp. 518 - 518 (atti di: XXIV Congresso Nazionale della Società Chimica Italiana, Lecce (Italia), 11-16 settembre 2011) [Abstract]

C. Puzzarini, Rotational spectroscopy for astrophysical investigations, «RENDICONTI LINCEI. SCIENZE FISICHE E NATURALI», 2011, 22, pp. 165 - 172 [Scientific article]

C. Puzzarini; G. Cazzoli; Z. Kisiel, Rotational spectrum of the v12=1, v13=1 and v7=1 vibrational states of CH3CCCCH, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2011, 267, pp. 118 - 122 [Scientific article]

C. Puzzarini; G. Cazzoli; J.C. López; J.L. Alonso; A. Baldacci; A. Baldan; S. Stopkowicz; L. Cheng; J. Gauss, Spectroscopic investigation of fluoroiodomethane, CH2FI: Fourier-transform microwave and millimeter-/submillimeter-wave spectroscopy and quantum-chemical calculations, «THE JOURNAL OF CHEMICAL PHYSICS», 2011, 134, pp. 174312/1 - 174312/9 [Scientific article]

G. De Pretis; A. Cartoni; M. Rosi; V. Barone; C. Puzzarini; A. Troiani, The proton affinity and gas-phase basicity of sulfur dioxide, «CHEMPHYSCHEM», 2011, 12, pp. 112 - 115 [Scientific article]

G. Cazzoli; C. Puzzarini; S. Stopkowicz; J. Gauss, The rotational spectrum of trans-DCOOD: Lamb-dip measurements, THz spectroscopy and quantum-chemical calculations, «CHEMICAL PHYSICS LETTERS», 2011, 502, pp. 42 - 47 [Scientific article]

C. Puzzarini, A theoretical study of the CH2N isomers: molecular structure and energetics, «INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY», 2010, 110, pp. 2483 - 2494 [Scientific article]

C. Puzzarini; M. Biczysko; V. Barone, Accurate harmonic/anharmonic vibrational frequencies for open-shell systems: performance of the B3LYP/N07D model for semirigid free radicals benchmarked by CCSD(T) computations, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2010, 6, pp. 828 - 838 [Scientific article]

C. Puzzarini; V. Barone, Benchmark calculations for molecules in the gas phase: state-of-the-art coupled-cluster computations, «INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY», 2010, 110, pp. 637 - 655 [Scientific article]

C. Puzzarini; J. Gauss, Benchmarking Quantum Chemistry with Rotational Spectroscopy or Benchmarking Rotational Spectroscopy with Qauntum Chemistry?, in: Program and Abstracts. Molecular Quatum Mechanics: From Methylene to DNA and Beyond., ATLANTA, GEORGIA, Brandon's Printing, 2010, pp. 184 - 184 (atti di: Molecular Quatum Mechanics: From Methylene to DNA and Beyond. A Conference in honor of Henry F. Schaefer III, Berkley (CA), USA, 24-29 Maggio 2010) [Abstract]

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