Pubblicazioni del ROT&Comp Lab
L. Bizzocchi; C. Degli Esposti; L. Dore; C. Puzzarini, Lamb-dip millimetre-wave spectroscopy of HCP: experimental and theoretical determination of 31P nuclear spin-rotation coupling constant and magnetic shielding., «CHEMICAL PHYSICS LETTERS», 2005, 408, pp. 13 - 18 [Articolo in rivista]
C. Degli Esposti; L. Bizzocchi; P. Botschwina; K.M.T. Yamada; G. Winnewisser; S. Thorwirth; P. Förster, Vibrationally excited states of HC5N: millimeter-wave spectroscopy and coupled cluster calculations., «JOURNAL OF MOLECULAR SPECTROSCOPY», 2005, 230, pp. 185 - 195 [Articolo in rivista]
L. Bizzocchi; C. Degli Esposti; C. Puzzarini, Millimeter-wave spectroscopy and coupled cluster calculations for FCP., in: Nineteenth Colloquium on High Resolution Molecular Spectroscopy, SALAMANCA, D. Bermejo, J.L. Domenech, M.A. Moreno, 2005, pp. 294 - 294 (atti di: Salamanca 2005. Nineteenth Colloquium on High Resolution Molecular Spectroscopy, Salamanca, 11-16 settembre 2005) [Riassunto (Abstract)]
L. Bizzocchi; C. Degli Esposti, Millimeter and submillimeter-wave spectroscopy of silicon difluoride., in: Nineteenth Colloquium on High Resolution Molecular Spectroscopy., SALAMANCA, D. Bermejo, J.L. Domenech, M.A. Moreno, 2005, pp. 387 - 387 (atti di: Salamanca 2005. Nineteenth Colloquium on High Resolution Molecular Spectroscopy., Salamanca, 11-16 settembre 2005) [Riassunto (Abstract)]
C. Puzzarini; G. Cazzoli; J. Gauss, "Fine- and hyperfine-structure of rotational spectra predicted by ab initio computations"., in: Computational Tools for Molecules, Clusters and Nanostructures, KARLSRUHE, s.n, 2005, pp. 88 - 88 (atti di: 'Computational Tools for Molecules, Clusters and Nanostructures. An International Conference in honour of Reinhart Ahlrichs', Karlsruhe, Germania, 23-26 Gennaio 2005) [Riassunto (Abstract)]
C. Puzzarini; G. Cazzoli; J. Gauss, "Fine- and hyperfine-structure of rotational spectra predicted by ab initio computations"., in: "Programme and Abstracts of the 19th Colloquium on High Resolution Molecular Spectrosocpy', SALAMANCA, s.n, 2005, pp. 121 - 121 (atti di: '19th Colloquium on High Resolution Molecular Spectrosocpy', Salamanca (Spagna), 11-16 Settembre 2005) [Riassunto (Abstract)]
G. Cazzoli; C. Puzzarini; A. Gambi, 'Microwave spectrum of deuterated species of trans-1-chloro-2-fluoroethylene. Spectroscopic parameters and molecular structure from experiment and ab initio calculations', in: Programme and Abstracts of the 19th Colloquium on High Resolution Molecular Spectrosocpy., SALAMANCA, s.n, 2005, pp. 335 - 336 (atti di: '19th Colloquium on High Resolution Molecular Spectrosocpy', Salamanca (Spagna)., 11-16 Settembre 2005) [Riassunto (Abstract)]
G. Cazzoli; C. Puzzarini, "Observation of OD- by microwave spectroscopy", in: Programme and Abstracts of the 19th Colloquium on High Resolution Molecular Spectrosocpy, SALAMANCA, s.n, 2005, pp. 237 - 237 (atti di: '19th Colloquium on High Resolution Molecular Spectrosocpy', Salamanca (Spagna)., 11-16 Settembre 2005) [Riassunto (Abstract)]
G. Cazzoli; L. Cludi; C. Puzzarini, "Microwave spectrum of P14N and P15N: spectroscopic constants and molecular structure", in: Programme and Abstracts of the 19th Colloquium on High Resolution Molecular Spectrosocpy, SALAMANCA, s.n, 2005, pp. 337 - 337 (atti di: '19th Colloquium on High Resolution Molecular Spectrosocpy', Salamanca (Spagna)., 11-16 Settembre 2005) [Riassunto (Abstract)]
G. Cazzoli; C. Puzzarini, "The rare isotopomers of HCN: H13CN, HC15N and DC15N. Rotational spectrum and resolved nuclear hyperfine structure", in: Programme and Abstracts of the 19th Colloquium on High Resolution Molecular Spectrosocpy, SALAMANCA, s.n, 2005, pp. 120 - 120 (atti di: '19th Colloquium on High Resolution Molecular Spectrosocpy', Salamanca (Spagna)., 11-16 Settembre 2005) [Riassunto (Abstract)]
G. Cazzoli; L. Dore; C. Puzzarini, "The hyperfine structure of the inversion-rotation spectra of NH3 and ND3 investrigated by Lamb-dip spectroscopy", in: Programme and Abstracts of the 19th Colloquium on High Resolution Molecular Spectrosocpy, SALAMANCA, s.n, 2005, pp. 338 - 338 (atti di: '19th Colloquium on High Resolution Molecular Spectrosocpy', Salamanca (Spagna)., 11-16 Settembre 2005) [Riassunto (Abstract)]
G. Cazzoli; C. Puzzarini; G. Buffa; O. Tarrini, "Experimental determination of the self-, N2- and O2-broadening parameters of the pure rotational transition J = 6(1,6) - 5(2,3) of H2O at 22.2 GHz"., in: Remote Sensing of the Atmosphere for Environmental Security, RABAT, s.n, 2005, pp. 14 - 14 (atti di: NATO Advanced Research Workshop “Remote Sensing of the Atmosphere for Environmental Security”, Rabat (Marocco)., 17-19 Novembre 2005) [Riassunto (Abstract)]
C. Puzzarini; J. Cosléou; P. Cacciani; F. Herlemont; M. Khelkhal, CH3F: the magnetic interactions at the origin of the nuclear spin conversion, «CHEMICAL PHYSICS LETTERS», 2005, 401, pp. 357 - 362 [Articolo in rivista]
C. Puzzarini; P. R. Taylor, An ab initio study of the structure, torsional potential energy function and electric properties of disilane, ethane and their deuterated isotopomers, «THE JOURNAL OF CHEMICAL PHYSICS», 2005, 122, pp. 054315-1 - 054315-10 [Articolo in rivista]
C. Puzzarini; A. Gambi, The energetics and structural properties of diazomethyl (HCNN) and cyanomidyl (HNCN) radicals and their related cations and anions from ab initio calculations, «THE JOURNAL OF CHEMICAL PHYSICS», 2005, 122, pp. 064316-1 - 064316-10 [Articolo in rivista]
C. Puzzarini; K. A. Peterson, An ab initio study of the lowest electronic states of yttrium dicarbide, YC2, «THE JOURNAL OF CHEMICAL PHYSICS», 2005, 122, pp. 084323-1 - 084323-9 [Articolo in rivista]
C. Puzzarini; K. A. Peterson, Multiple bonds to gold: A theoretical investigation of XAuC (X=F,Cl,Br,I) molecules, «CHEMICAL PHYSICS», 2005, 311, pp. 177 - 186 [Articolo in rivista]
C. Puzzarini; S. Coriani; A. Rizzo; J. Gauss, Critical analysis of the spin-rotation constants of CF2 and CCl2: a theoretical study, «CHEMICAL PHYSICS LETTERS», 2005, 409, pp. 118 - 123 [Articolo in rivista]
C. Puzzarini, The HCS/HSC and HCS+/HSC+ systems: molecular properties, isomerization, and energetics, «THE JOURNAL OF CHEMICAL PHYSICS», 2005, 123, pp. 024313-1 - 024313-14 [Articolo in rivista]
K. A. Peterson; C. Puzzarini, Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements, «THEORETICAL CHEMISTRY ACCOUNTS», 2005, 114, pp. 283 - 296 [Articolo in rivista]