Pubblicazioni del ROT&Comp Lab
C. Puzzarini, Accurate thermochemistry and spectroscopy of protonated sulfur dioxide, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2011, 13, pp. 21319 - 21327 [Articolo in rivista]
C. Puzzarini; M. Biczysko; V. Barone, Accurate anharmonic vibrational frequencies for uracil: the performance of composite schemes and hybrid CC/DFT model, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2011, 7, pp. 3702 - 3710 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
C. Puzzarini, Rotational spectroscopy for astrophysical investigations, «RENDICONTI LINCEI. SCIENZE FISICHE E NATURALI», 2011, 22, pp. 165 - 172 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Capitolo/Saggio in libro]
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) [Riassunto (Abstract)]
Barbara M. Giuliano;Luca Bizzocchi;Raquel Sanchez;Pablo Villanueva;Vanessa Cortijo;M. Eugenia Sanz;Jens-Uwe Grabow, The rotational spectra, potential function, Born–Oppenheimer breakdown, and hyperfine structure of GeSe and GeTe, «THE JOURNAL OF CHEMICAL PHYSICS», 2011, 135, pp. 084303 - 084303-12 [Articolo in rivista]
J. Gauss; C. Puzzarini, Interplay of theory and experiment in rotational spectroscopy, in: The 21st International Conference on High Resolution Molecular Spectroscopy, POZNAN, Wydzial Chemii, Uniwersytet im. Adama Mickiewicza, 2010, pp. 123 - 123 (atti di: The 21st International Conference on High Resolution Molecular Spectroscopy, Poznan, 7-11 settembre 2010) [Riassunto (Abstract)]
L. Bizzocchi; P. Caselli; L. Dore, Detection of N15NH+ in L1544, «ASTRONOMY & ASTROPHYSICS», 2010, 510 [Articolo in rivista]
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 [Articolo in rivista]
G. Cazzoli; C. Puzzarini; J. Gauss, Rotational spectra of CF+ and (13)CF+: accurate rest frequencies and spectroscopic parameters, «ASTRONOMY & ASTROPHYSICS», 2010, 509, pp. A1/1 - A1/5 [Articolo in rivista]
G. Cazzoli; C. Puzzarini; J. Gauss, Rotational spectra of isotopic species of silyl fluoride. Part I: Lamb-dip measurements and quantum-chemical calculations, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2010, 259, pp. 93 - 99 [Articolo in rivista]
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 [Articolo in rivista]
J. Gauss; C. Puzzarini, Quantum-chemical calculation of Born-Oppenheimer breakdown parameters to rotational constants, «MOLECULAR PHYSICS», 2010, 108, pp. 269 - 277 [Articolo in rivista]
C. Puzzarini; J. F. Stanton; J. Gauss, Quantum-chemical calculation of spectroscopic parameter for rotational spectroscopy, «INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY», 2010, 29, pp. 273 - 367 [Articolo in rivista]
C. Puzzarini, Molecular structure determination from quantum-chemical calculations: extrapolation to the complete basis set limit and additivity approximation, in: Twenty-third Austin Symposium on Molecular Structure and Dynamics, AUSTIN, s.n, 2010, pp. 33 - 33 (atti di: Twenty-third Austin Symposium on Molecular Structure and Dynamics, Austin, TX, 6 - 9 Marzo 2010) [Riassunto (Abstract)]