Pubblicazioni del ROT&Comp Lab
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) [Contributo in Atti di convegno]
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) [Riassunto (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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
C. Puzzarini, Ab initio anharmonic force field and equilibrium structure of the sulfonium ion, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2007, 242, pp. 70 - 75 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
C. Puzzarini; G. Cazzoli; A. Baldacci; A. Baldan; C. Michauk; J. Gauss, Rotational spectra of rare isotopic species of bromofluoromethane: Determination of the equilibrium structure from ab initio calculations and microwave spectroscopy, «THE JOURNAL OF CHEMICAL PHYSICS», 2007, 127, pp. 164302-1 - 164302-10 [Articolo in rivista]
C. Degli Esposti; L. Bizzocchi, Absorption and emission spectroscopy of a lasing material: ruby., «JOURNAL OF CHEMICAL EDUCATION», 2007, 84, pp. 1316 - 1318 [Articolo in rivista]
C. Degli Esposti; L. Dore; L. Bizzocchi, Lamb-dip millimetre-wave spectroscopy of D10/11BS and H10/11BS: electric quadrupole, spin-rotation, and spin-spin coupling constants in four thioborine isotopologues., in: 20th Colloquium on High-Resolution Molecular Spectroscopy, s.l, s.n, 2007, pp. 81 - 81 (atti di: 20th Colloquium on High-Resolution Molecular Spectroscopy, Dijon (France), 3-7 settembre 2007) [Riassunto (Abstract)]
F. Tinti; L. Bizzocchi; C. Degli Esposti; L. Dore, IMPROVED REST FREQUENCIES OF HCO+ AT 1 THz, «THE ASTROPHYSICAL JOURNAL LETTERS», 2007, 669, pp. L113 - L116 [Articolo in rivista]
C. Degli Esposti; L. Dore; F. Tinti; L. Bizzocchi, Submillimetre-wave spectra of astrophysically important molecules generated by electric discharge., in: 20th Colloquium on High-Resolution Molecular Spectroscopy, s.l, s.n, 2007, pp. 83 - 83 (atti di: 20th Colloquium on High-Resolution Molecular Spectroscopy, Dijon (France), 3 - 7 settembre 2007) [Riassunto (Abstract)]
G. Cazzoli; C. Puzzarini; A. Baldacci; A. Baldan; C. Michauk; J. Gauss, Rotational spectra of CHDBrF, CD2BrF and 13CH2BrF: determination of equilibrium structure of bromofluoromethane, in: 20th Colloquium on high-resolution molecular spectroscopy. Program and Abstracts, DIJON, s.n, 2007, pp. 341 - 341 (atti di: 20th Colloquium on high-resolution molecular spectroscopy., Universite' de Bourgogne. Dijon, France, 3-7/09/2007) [Riassunto (Abstract)]
G. Cazzoli; C. Puzzarini; G. Buffa; O. Tarrini, Pressure-broadening in the THz frequency region: the 1.113 THz line of water, in: 20th Colloquium on high-resolution molecular spectroscopy. Program and abstracts., DIJON, s.n, 2007, pp. 342 - 342 (atti di: 20th Colloquium on high-resolution molecular spectroscopy., Universite' de Bourgogne. Dijon, France, 3-7/09/2007) [Riassunto (Abstract)]
A. Baldacci; P. Stoppa; A. Pietropolli Charmet; S. Giorgianni; G. Cazzoli; C. Puzzarini; R. Wugt Larsen, High-resolution infrared and microwave studies of CH2(79)BrF and CH2(81)BrF: the ground, nu5 = 1 and nu6 = 1,2 state constants., in: 20th Colloquium on high-resolution molecular spectroscopy. Program and Abstracts, DIJON, s.n, 2007, pp. 359 - 359 (atti di: 20th Colloquium on high-resolution molecular spectroscopy., Universite' de Bourgogne. Dijon, France, 3-7/09/2007) [Riassunto (Abstract)]
C. Puzzarini; J. Gauss, Accurate molecular structure calculations for accurately predicting rotational spectra, in: Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics. Highly Accurate Calculations of Molecular Electronic Structure., KARLSRUHE, s.n, 2007, pp. P28 - P28 (atti di: Highly Accurate Calculations of Molecular Electronic Structure., Bad Herrenalb, Germany., 22 - 24 Marzo 2007) [Riassunto (Abstract)]
C. Puzzarini; T. Metzroth; J. Gauss, Dipolar coupling constants: analysis of the hyperfine structure in rotational spectra and determination of bond distances., in: Molecular Quantum Mechanics: Analytic Gradients and Beyond. Program and Abstracts., BUDAPEST, ELTE Institure of Chemistry (P.G. Szalay), 2007, pp. 111 - 111 (atti di: Molecular Quantum Mechanics: Analytic Gradients and Beyond. A Conference in Honor of Peter Pulay., Budapest, 29/5 - 3/6 2007) [Riassunto (Abstract)]