List of Publications from the Rot&Comp Lab
C. Puzzarini, Benchmark calculations for molecules in the gas phase: state-of-the-art coupled-cluster computations, in: CHITEL 08. XXXIV Congresso dei Chimici Teorici di Esperessione Latina, s.l, s.n, 2008, pp. 62 - 62 (atti di: CHITEL 08, Cetraro (CS), Italia, 3-8 Luglio 2008) [Contribution to conference proceedings]
C. Puzzarini; V. Barone, Benchmark calculations on nucleobases: uracil as a test case, in: XXXVII Congresso Nazionale di Chimica Fisica. Chimica fisica, crocevia della scienza., GENOVA, s.n, 2008, pp. 47 - 47 (atti di: XXXVII Congresso Nazionale di Chimica Fisica, Camogli (GE), Italia, 24-29 Febbraio 2008) [Contribution to conference proceedings]
G. Cazzoli; C. Puzzarini; G. Buffa; O. Tarrini, Pressure-broadening of water lines in the THz frequency region: improvements and confirmations for spectroscopic database, in: The 20th International Conference on High Resolution Molecular Spectroscopy, PRAGA, ICT Press, 2008, pp. 257 - 257 (atti di: The 20th International Conference on High Resolution Molecular Spectroscopy, PRAGA, Repubblica Ceca, 2-6 Settembre 2008) [Contribution to conference proceedings]
C. Puzzarini; V. Barone, Toward spectroscopic accuracy for open-shell systems: X2AB radicals as test cases, in: CC7. 7th European Conference on Computationla Chemistry. Book of abstracts, VENEZIA, s.n, 2008, pp. 52 - 53 (atti di: CC7. 7th European Conference on Computationla Chemistry., S. Servolo, VE. Italia, 11-15 Settembre 2008) [Contribution to conference proceedings]
V. Barone; I. Cacelli; A. Ferretti; C. Puzzarini, Spin density and magnetic properties of organic free radicals, in: ECDM-V. 5th European Charge Density Meeting., s.l, s.n, 2008, pp. 27 - 27 (atti di: ECDM-V. 5th European Charge Density Meeting., Gravedona (CO), Italia, 6-11 Giugno 2008) [Abstract]
G. Cazzoli; C. Puzzarini; S. Stopkowicz; J. Gauss, The hyperfine structure in the rotational spectra of bromofluoromethane: lamb-dip technique and quantum-chemical calculations, in: The 20th International Conference on High Resolution Molecular Spectroscopy., PRAGA, ICT Press, 2008, pp. 136 - 136 (atti di: The 20th International Conference on High Resolution Molecular Spectroscopy, Praga (Rep. Ceca), 2-6 Settembre 2008) [Abstract]
G. Cazzoli; C. Puzzarini, Rotational spectrum of methyldiacetylene: precise rotational parameters for astrophysics and equilibrium structure, in: The 20th International Conference on High Resolution Molecular Spectroscopy, PRAGA, ICT Press, 2008, pp. 232 - 232 (atti di: The 20th International Conference on High Resolution Molecular Spectroscopy, Praga (Rep. Ceca), 2-6 Settembre 2008) [Abstract]
P. Cacciani; M. Khelkhal; M. Tudorie; J. Cosleou; P. Pracna; C. Puzzarini, Nuclear spin conversion in ammonia: new experimental approach and conversion rates in astrophysical media, in: The 20th International Conference on High Resolution Molecular Spectroscopy, PRAGA, ICT Press, 2008, pp. 233 - 233 (atti di: The 20th International Conference on High Resolution Molecular Spectroscopy, Praga (Rep. Ceca), 2-6 Settembre 2008) [Abstract]
C. Puzzarini; V. Barone, Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F2CN and F2BO case, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2008, 10, pp. 6991 - 6997 [Scientific article]
L. Bizzocchi; C. Degli Esposti; L. Dore, Accurate rest frequencies for the submillimetre-wave lines of C3O in ground and vibrationally excited states below 400 cm-1., «ASTRONOMY & ASTROPHYSICS», 2008, 492, pp. 875 - 881 [Scientific article]
C. Puzzarini, State-of-the-art coupled custer calculations: molecular and spectroscopic properties, in: WINTER MODELING '08. Atti della Conferenza, PISA, s.n, 2008, pp. 16 - 16 (atti di: WINTER MODELING '08, Pisa, Area della Ricerca CNR, 19 Dicembre 2008) [Contribution to conference proceedings]
C. Degli Esposti; L. Bizzocchi, Millimetre and submillimetre-wave spectroscopy of carbon-chains produced by pyrolysis., in: 20th Colloquium on High-Resolution Molecular Spectroscopy, s.l, s.n, 2007, pp. 82 - 82 (atti di: 20th Colloquium on High-Resolution Molecular Spectroscopy, Dijon (France), 3 - 7 settembre 2007) [Abstract]
C. Cramer; M. Wloch; P. Piecuch; C. Puzzarini; L. Gagliardi, Theoretical models on the Cu2O2 torture track: mechanistic implications for oxytyrosinase and small-molecule analogues. [Erratum], «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2007, 111, pp. 4871 - 4871 [Scientific article]
G. Cazzoli; C. Puzzarini; A. Baldacci; A. Baldan, Determination of the molecular dipole moment of bromofluoromethane: microwave Stark spectra and ab initio calculations, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2007, 241, pp. 112 - 115 [Scientific article]
L. Bizzocchi; C. Degli Esposti, Millimeter- and submillimeter-wave spectroscopy of HBS and DBS in vibrationally excited states., «JOURNAL OF MOLECULAR SPECTROSCOPY», 2007, 241, pp. 67 - 74 [Scientific article]
G. Cazzoli; C. Puzzarini; G. Buffa; O. Tarrini, Experimental and theoretical investigation on pressure-broadening and pressure-shifting of the 22.2 GHz line of Water, «JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER», 2007, 105, pp. 438 - 449 [Scientific article]
C. Puzzarini, Ab initio anharmonic force field and equilibrium structure of the sulfonium ion, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2007, 242, pp. 70 - 75 [Scientific article]
A. Baldacci; P. Stoppa; A. Pietropolli Charmet; S. Giorgianni; G. Cazzoli; C. Puzzarini; R. W. Larsen, High resolution FTIR, microwave, and ab initio investigations of CH279BrF: the ground, v5 = 1, and v6 = 1, 2 state constants, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2007, 111, pp. 7090 - 7097 [Scientific article]
A. Baldacci; P. Stoppa; A. Pietropolli Charmet; S. Giorgianni; G. Cazzoli; L. Cludi; C. Puzzarini; R. W. Larsen, Spectroscopic constants of the ground and lower vibrational states of CH281BrF: A combined high resolution infrared and microwave study, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2007, 246, pp. 126 - 132 [Scientific article]
H.S.P. Müller; M.C. McCarthy; L. Bizzocchi; H. Gupta; S. Esser; H. Lichau; M. Caris; F. Lewen; J. Hahn; C. Degli Esposti; S. Schlemmer; P. Thaddeus, Rotational spectroscopy of the isotopic species of silicon monosulfide, SiS., «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2007, 9, pp. 1579 - 1586 [Scientific article]